CID 63615718

2-[(cyclopropylmethyl)carbamoyl]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1CC1CNC(=O)C2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c14-10(13-6-7-3-4-7)9-8(11(15)16)2-1-5-12-9/h1-2,5,7H,3-4,6H2,(H,13,14)(H,15,16)
InChIKey
ZODOQBVUTQNCOH-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethylcarbamoyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.7
[M+Na]+ 243.07402 155.8
[M-H]- 219.07752 152.6
[M+NH4]+ 238.11862 158.8
[M+K]+ 259.04796 152.0
[M+H-H2O]+ 203.08206 140.3
[M+HCOO]- 265.08300 169.5
[M+CH3COO]- 279.09865 190.5
[M+Na-2H]- 241.05947 152.1
[M]+ 220.08425 149.4
[M]- 220.08535 149.4
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.