CID 6374719

Nsc697717

Structural Information

Molecular Formula
C24H38O3
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC1CCC(OC1)C(=C)C(=O)O)/C)/C)C
InChI
InChI=1S/C24H38O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-22-15-16-23(27-17-22)21(5)24(25)26/h9,11,13,22-23H,5-8,10,12,14-17H2,1-4H3,(H,25,26)/b19-11+,20-13+
InChIKey
IFDPWHHQIPWEFF-UFTLRZAHSA-N
Compound name
2-[5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2821 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28938 200.6
[M+Na]+ 397.27132 199.7
[M-H]- 373.27482 200.4
[M+NH4]+ 392.31592 210.2
[M+K]+ 413.24526 195.8
[M+H-H2O]+ 357.27936 193.7
[M+HCOO]- 419.28030 210.1
[M+CH3COO]- 433.29595 220.5
[M+Na-2H]- 395.25677 191.9
[M]+ 374.28155 198.3
[M]- 374.28265 198.3
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.