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]+ 283.12886 163.0
[M+Na]+ 305.11080 168.1
[M-H]- 281.11430 162.5
[M+NH4]+ 300.15540 175.7
[M+K]+ 321.08474 166.5
[M+H-H2O]+ 265.11884 156.3
[M+HCOO]- 327.11978 180.1
[M+CH3COO]- 341.13543 196.2
[M+Na-2H]- 303.09625 165.3
[M]+ 282.12103 163.2
[M]- 282.12213 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.