CID 53401498

1260649-54-4

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)CC(=O)O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
FPERASUDPDOSIT-UHFFFAOYSA-N
Compound name
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.11101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.7
[M+Na]+ 275.10023 165.5
[M+NH4]+ 270.14483 161.4
[M+K]+ 291.07417 162.8
[M-H]- 251.10373 155.2
[M+Na-2H]- 273.08568 160.2
[M]+ 252.11046 157.1
[M]- 252.11156 157.1
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