CID 87565107

2-chloro-5-cyclopropylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1CC1C2=CC(=C(N=C2)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO2/c10-8-7(9(12)13)3-6(4-11-8)5-1-2-5/h3-5H,1-2H2,(H,12,13)
InChIKey
RTVWYIIWJGGTCO-UHFFFAOYSA-N
Compound name
2-chloro-5-cyclopropylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

197.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 137.1
[M+Na]+ 220.013568 148.2
[M-H]- 196.017074 142.3
[M+NH4]+ 215.058173 150.7
[M+K]+ 235.987508 143.2
[M+H-H2O]+ 180.021610 131.1
[M+HCOO]- 242.022551 154.7
[M+CH3COO]- 256.038201 183.3
[M+Na-2H]- 217.999016 142.3
[M]+ 197.02380142 140.9
[M]- 197.02489858 140.9
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

patents stripe