CID 14736974

1-chlorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C1CC1(C(=O)O)Cl
InChI
InChI=1S/C4H5ClO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
InChIKey
RSSNICRIXPNUQK-UHFFFAOYSA-N
Compound name
1-chlorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

833
Patents

119.99781 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 117.4
[M+Na]+ 142.98703 128.2
[M-H]- 118.99053 121.3
[M+NH4]+ 138.03163 136.9
[M+K]+ 158.96097 125.8
[M+H-H2O]+ 102.99507 114.7
[M+HCOO]- 164.99601 135.7
[M+CH3COO]- 179.01166 168.3
[M+Na-2H]- 140.97248 125.2
[M]+ 119.99726 120.9
[M]- 119.99836 120.9
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

No patent data available for this compound.