CID 83530985

1516571-42-8

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=CC(=O)C(=CN1C2CC2)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-6-4-9(12)8(10(13)14)5-11(6)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKey
RVSBPEJBKHUQRY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-methyl-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

193.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.6
[M+Na]+ 216.063118 151.9
[M-H]- 192.066624 146.4
[M+NH4]+ 211.107723 153.8
[M+K]+ 232.037058 147.9
[M+H-H2O]+ 176.071160 133.9
[M+HCOO]- 238.072101 162.5
[M+CH3COO]- 252.087751 185.0
[M+Na-2H]- 214.048566 144.8
[M]+ 193.07335142 144.1
[M]- 193.07444858 144.1
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