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

2
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 130.9
[M+Na]+ 177.088598 138.7
[M-H]- 153.092104 136.9
[M+NH4]+ 172.133203 148.0
[M+K]+ 193.062538 136.0
[M+H-H2O]+ 137.096640 125.6
[M+HCOO]- 199.097581 151.6
[M+CH3COO]- 213.113231 176.8
[M+Na-2H]- 175.074046 133.4
[M]+ 154.09883142 130.1
[M]- 154.09992858 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