CID 57338879

Schembl13903807

Structural Information

Molecular Formula
C22H30O
SMILES
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C)/C)C
InChI
InChI=1S/C22H30O/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23/h6-7,9-12,14-18H,8,13H2,1-5H3/b7-6+,14-9+,17-10+,20-12+,21-15+,22-16+
InChIKey
GIKHYDJRGRLGLM-UBSLRWKGSA-N
Compound name
(2E,4E,6E,8E,10E,12E)-5,9,13,17-tetramethyloctadeca-2,4,6,8,10,12,16-heptaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.22968 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23696 182.4
[M+Na]+ 333.21890 185.2
[M-H]- 309.22240 180.7
[M+NH4]+ 328.26350 197.3
[M+K]+ 349.19284 178.3
[M+H-H2O]+ 293.22694 176.5
[M+HCOO]- 355.22788 199.0
[M+CH3COO]- 369.24353 208.9
[M+Na-2H]- 331.20435 176.6
[M]+ 310.22913 182.6
[M]- 310.23023 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe