CID 15984458

4-cyclopentylbutanoic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CCC(C1)CCCC(=O)O
InChI
InChI=1S/C9H16O2/c10-9(11)7-3-6-8-4-1-2-5-8/h8H,1-7H2,(H,10,11)
InChIKey
YIDKMWJJCIUSPI-UHFFFAOYSA-N
Compound name
4-cyclopentylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 137.2
[M+Na]+ 179.10426 142.0
[M-H]- 155.10776 138.5
[M+NH4]+ 174.14886 158.9
[M+K]+ 195.07820 140.6
[M+H-H2O]+ 139.11230 132.0
[M+HCOO]- 201.11324 157.6
[M+CH3COO]- 215.12889 173.5
[M+Na-2H]- 177.08971 139.3
[M]+ 156.11449 134.5
[M]- 156.11559 134.5
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