CID 2755970

Boc-3-amino-1-carboxymethyl-pyridin-2-one

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-oxopyridin-1-yl]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]+ 269.11321 158.6
[M+Na]+ 291.09515 167.3
[M+NH4]+ 286.13975 162.4
[M+K]+ 307.06909 165.3
[M-H]- 267.09865 156.4
[M+Na-2H]- 289.08060 161.3
[M]+ 268.10538 158.7
[M]- 268.10648 158.7
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.