CID 68594743

2-cyclopentene-1-pentadecenoic acid

Structural Information

Molecular Formula
C20H34O2
SMILES
C1CC(C=C1)CCCCCC=CCCCCCCCC(=O)O
InChI
InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)
InChIKey
GFPRKNCSMMGSNS-UHFFFAOYSA-N
Compound name
15-cyclopent-2-en-1-ylpentadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.2559 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 184.4
[M+Na]+ 329.24512 185.8
[M-H]- 305.24862 184.0
[M+NH4]+ 324.28972 200.0
[M+K]+ 345.21906 180.8
[M+H-H2O]+ 289.25316 177.1
[M+HCOO]- 351.25410 202.7
[M+CH3COO]- 365.26975 204.7
[M+Na-2H]- 327.23057 181.5
[M]+ 306.25535 186.3
[M]- 306.25645 186.3
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

patents stripe