CID 137942802

2287260-03-9

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)(C)OC(=O)NC(CC1=CC(=O)NC=C1)C(=O)O
InChI
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)15-9(11(17)18)6-8-4-5-14-10(16)7-8/h4-5,7,9H,6H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)
InChIKey
HEORFPPJRXONHD-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 163.0
[M+Na]+ 305.110798 168.1
[M-H]- 281.114304 162.5
[M+NH4]+ 300.155403 175.7
[M+K]+ 321.084738 166.5
[M+H-H2O]+ 265.118840 156.3
[M+HCOO]- 327.119781 180.1
[M+CH3COO]- 341.135431 196.2
[M+Na-2H]- 303.096246 165.3
[M]+ 282.12103142 163.2
[M]- 282.12212858 163.2
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

No patent data available for this compound.