CID 101716226

(2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C
InChI
InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1
InChIKey
BCNPTKKIVMTZFO-UWYNECTCSA-N
Compound name
(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22458 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 180.4
[M+Na]+ 349.21380 185.2
[M-H]- 325.21730 181.4
[M+NH4]+ 344.25840 196.4
[M+K]+ 365.18774 178.5
[M+H-H2O]+ 309.22184 175.4
[M+HCOO]- 371.22278 196.0
[M+CH3COO]- 385.23843 209.1
[M+Na-2H]- 347.19925 176.6
[M]+ 326.22403 178.9
[M]- 326.22513 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.