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

33
Patents

268.10593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 158.8
[M+Na]+ 291.09515 165.7
[M-H]- 267.09865 160.2
[M+NH4]+ 286.13975 173.2
[M+K]+ 307.06909 165.3
[M+H-H2O]+ 251.10319 152.1
[M+HCOO]- 313.10413 178.6
[M+CH3COO]- 327.11978 196.7
[M+Na-2H]- 289.08060 162.7
[M]+ 268.10538 162.3
[M]- 268.10648 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