CID 2755970

2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)CC(=O)O
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h4-6H,7H2,1-3H3,(H,13,18)(H,15,16)
InChIKey
QPLUGXUIIHOKBV-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 157.8
[M+Na]+ 291.095148 165.0
[M-H]- 267.098654 159.3
[M+NH4]+ 286.139753 172.2
[M+K]+ 307.069088 163.9
[M+H-H2O]+ 251.103190 151.2
[M+HCOO]- 313.104131 177.7
[M+CH3COO]- 327.119781 195.9
[M+Na-2H]- 289.080596 161.7
[M]+ 268.10538142 160.6
[M]- 268.10647858 160.6
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.