CID 71668584

102015-02-1

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(C)(C)C1=CC(=CC(=O)N1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-10(2,3)7-4-6(9(13)14)5-8(12)11-7/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKey
KDJDPVXVRFKEDR-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-oxo-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 140.8
[M+Na]+ 218.07876 149.5
[M-H]- 194.08226 141.1
[M+NH4]+ 213.12336 158.0
[M+K]+ 234.05270 146.8
[M+H-H2O]+ 178.08680 135.5
[M+HCOO]- 240.08774 159.2
[M+CH3COO]- 254.10339 179.1
[M+Na-2H]- 216.06421 145.7
[M]+ 195.08899 140.3
[M]- 195.09009 140.3
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.