CID 2763104

5-{[(tert-butoxy)carbonyl]amino}-2-methoxypyridine-4-carboxylic acid

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)O)OC
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-6-13-9(18-4)5-7(8)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKey
YSPBACAUWGFVRJ-UHFFFAOYSA-N
Compound name
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

268.10593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 158.8
[M+Na]+ 291.095148 165.7
[M-H]- 267.098654 160.2
[M+NH4]+ 286.139753 173.2
[M+K]+ 307.069088 165.3
[M+H-H2O]+ 251.103190 152.1
[M+HCOO]- 313.104131 178.6
[M+CH3COO]- 327.119781 196.7
[M+Na-2H]- 289.080596 162.7
[M]+ 268.10538142 162.3
[M]- 268.10647858 162.3
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

patents stripe