CID 116533726

2-cyclopropyl-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1=NC(=C(C=C1)C(=O)O)C2CC2
InChI
InChI=1S/C10H11NO2/c1-6-2-5-8(10(12)13)9(11-6)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,12,13)
InChIKey
BFGQMHNOBZWPQZ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.8
[M+Na]+ 200.06820 148.1
[M-H]- 176.07170 143.3
[M+NH4]+ 195.11280 151.5
[M+K]+ 216.04214 144.5
[M+H-H2O]+ 160.07624 131.1
[M+HCOO]- 222.07718 159.5
[M+CH3COO]- 236.09283 182.5
[M+Na-2H]- 198.05365 142.8
[M]+ 177.07843 140.2
[M]- 177.07953 140.2
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.