CID 24729664

347187-29-5

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC(C1=CN=CC=C1)C(=O)O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-5-4-6-13-7-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZHXKLUQXXPIZQU-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

252.11101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.4
[M+Na]+ 275.10023 164.5
[M+NH4]+ 270.14483 160.9
[M+K]+ 291.07417 162.4
[M-H]- 251.10373 154.7
[M+Na-2H]- 273.08568 159.8
[M]+ 252.11046 156.6
[M]- 252.11156 156.6
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