CID 56935991

(e,e)-3,7,11-trimethyl-2,6,10-dodecatrienyl nonanoate

Structural Information

Molecular Formula
C24H42O2
SMILES
CCCCCCCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C24H42O2/c1-6-7-8-9-10-11-18-24(25)26-20-19-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,19H,6-13,15,17-18,20H2,1-5H3/b22-16+,23-19+
InChIKey
PTGYDEYLBOXVAU-SZAMPSRSSA-N
Compound name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.31848 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.32576 202.4
[M+Na]+ 385.30770 202.9
[M-H]- 361.31120 200.0
[M+NH4]+ 380.35230 215.2
[M+K]+ 401.28164 198.4
[M+H-H2O]+ 345.31574 195.4
[M+HCOO]- 407.31668 217.7
[M+CH3COO]- 421.33233 222.1
[M+Na-2H]- 383.29315 195.1
[M]+ 362.31793 207.8
[M]- 362.31903 207.8
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

No patent data available for this compound.