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]+ 375.289376 200.6
[M+Na]+ 397.271318 199.7
[M-H]- 373.274824 200.4
[M+NH4]+ 392.315923 210.2
[M+K]+ 413.245258 195.8
[M+H-H2O]+ 357.279360 193.7
[M+HCOO]- 419.280301 210.1
[M+CH3COO]- 433.295951 220.5
[M+Na-2H]- 395.256766 191.9
[M]+ 374.28155142 198.3
[M]- 374.28264858 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.