CID 131839798

2-cyclopentene-1-undec-4c-enoic acid

Structural Information

Molecular Formula
C16H26O2
SMILES
C1CC(C=C1)CCCCCC/C=C\CCC(=O)O
InChI
InChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13-14H2,(H,17,18)/b6-4-
InChIKey
WQSQIHQYYSDWOF-XQRVVYSFSA-N
Compound name
(Z)-11-cyclopent-2-en-1-ylundec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 166.3
[M+Na]+ 273.18250 169.5
[M-H]- 249.18600 166.8
[M+NH4]+ 268.22710 184.3
[M+K]+ 289.15644 165.5
[M+H-H2O]+ 233.19054 159.9
[M+HCOO]- 295.19148 186.1
[M+CH3COO]- 309.20713 192.7
[M+Na-2H]- 271.16795 165.6
[M]+ 250.19273 166.8
[M]- 250.19383 166.8
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.