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-chloropyridin-3-yl)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]+ 212.04729 142.1
[M+Na]+ 234.02923 152.6
[M-H]- 210.03273 147.2
[M+NH4]+ 229.07383 156.8
[M+K]+ 250.00317 148.5
[M+H-H2O]+ 194.03727 136.7
[M+HCOO]- 256.03821 159.1
[M+CH3COO]- 270.05386 184.6
[M+Na-2H]- 232.01468 148.4
[M]+ 211.03946 146.3
[M]- 211.04056 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.