CID 8818

3-cyclopentylpropionic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCC(C1)CCC(=O)O
InChI
InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKey
ZRPLANDPDWYOMZ-UHFFFAOYSA-N
Compound name
3-cyclopentylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

94873
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.6
[M+Na]+ 165.08860 137.8
[M-H]- 141.09210 134.1
[M+NH4]+ 160.13320 154.8
[M+K]+ 181.06254 136.7
[M+H-H2O]+ 125.09664 127.6
[M+HCOO]- 187.09758 153.3
[M+CH3COO]- 201.11323 170.5
[M+Na-2H]- 163.07405 135.2
[M]+ 142.09883 129.5
[M]- 142.09993 129.5
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