CID 22271474

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

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)4-5-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKey
HOKHELLEMBMVFK-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

238.09535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 152.2
[M+Na]+ 261.084568 158.8
[M-H]- 237.088074 153.4
[M+NH4]+ 256.129173 167.6
[M+K]+ 277.058508 157.8
[M+H-H2O]+ 221.092610 145.6
[M+HCOO]- 283.093551 172.1
[M+CH3COO]- 297.109201 190.1
[M+Na-2H]- 259.070016 157.0
[M]+ 238.09480142 153.4
[M]- 238.09589858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe