CID 15820840

13-cyclopentyltridecanoic acid

Structural Information

Molecular Formula
C18H34O2
SMILES
C1CCC(C1)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)
InChIKey
GPWJVXHWELIFNF-UHFFFAOYSA-N
Compound name
13-cyclopentyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

282.2559 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 178.2
[M+Na]+ 305.24512 179.1
[M-H]- 281.24862 177.8
[M+NH4]+ 300.28972 194.7
[M+K]+ 321.21906 175.4
[M+H-H2O]+ 265.25316 171.3
[M+HCOO]- 327.25410 195.6
[M+CH3COO]- 341.26975 200.6
[M+Na-2H]- 303.23057 175.4
[M]+ 282.25535 178.8
[M]- 282.25645 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe