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]+ 311.236956 182.4
[M+Na]+ 333.218898 185.2
[M-H]- 309.222404 180.7
[M+NH4]+ 328.263503 197.3
[M+K]+ 349.192838 178.3
[M+H-H2O]+ 293.226940 176.5
[M+HCOO]- 355.227881 199.0
[M+CH3COO]- 369.243531 208.9
[M+Na-2H]- 331.204346 176.6
[M]+ 310.22913142 182.6
[M]- 310.23022858 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