CID 28875521

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

238.09535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 152.2
[M+Na]+ 261.08457 158.8
[M-H]- 237.08807 153.4
[M+NH4]+ 256.12917 167.6
[M+K]+ 277.05851 157.8
[M+H-H2O]+ 221.09261 145.6
[M+HCOO]- 283.09355 172.1
[M+CH3COO]- 297.10920 190.1
[M+Na-2H]- 259.07002 157.0
[M]+ 238.09480 153.4
[M]- 238.09590 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

No literature data available for this compound.

Patent stripe

patents stripe