CID 83065886

1-[(6-chloropyridin-3-yl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1CC1(CC2=CN=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO2/c11-8-2-1-7(6-12-8)5-10(3-4-10)9(13)14/h1-2,6H,3-5H2,(H,13,14)
InChIKey
UVXFVXPSSUJILH-UHFFFAOYSA-N
Compound name
1-[(6-chloro-3-pyridinyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 142.1
[M+Na]+ 234.029228 152.6
[M-H]- 210.032734 147.2
[M+NH4]+ 229.073833 156.8
[M+K]+ 250.003168 148.5
[M+H-H2O]+ 194.037270 136.7
[M+HCOO]- 256.038211 159.1
[M+CH3COO]- 270.053861 184.6
[M+Na-2H]- 232.014676 148.4
[M]+ 211.03946142 146.3
[M]- 211.04055858 146.3
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.