CID 1502052

569687-82-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.09535 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe