CID 62314514

2-cyclopentylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCC(C1)C2CC2C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)8-5-7(8)6-3-1-2-4-6/h6-8H,1-5H2,(H,10,11)
InChIKey
ZRBBKMRFKSYVAN-UHFFFAOYSA-N
Compound name
2-cyclopentylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 130.9
[M+Na]+ 177.08860 138.7
[M-H]- 153.09210 136.9
[M+NH4]+ 172.13320 148.0
[M+K]+ 193.06254 136.0
[M+H-H2O]+ 137.09664 125.6
[M+HCOO]- 199.09758 151.6
[M+CH3COO]- 213.11323 176.8
[M+Na-2H]- 175.07405 133.4
[M]+ 154.09883 130.1
[M]- 154.09993 130.1
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