CID 131699612

2384916-52-1

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CC(C)(C)OC(=O)NC1=CN=C(N=C1)C(=O)O
InChI
InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-6-4-11-7(8(14)15)12-5-6/h4-5H,1-3H3,(H,13,16)(H,14,15)
InChIKey
SFVMBHZVCLEOLS-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 151.8
[M+Na]+ 262.07982 160.7
[M+NH4]+ 257.12442 155.9
[M+K]+ 278.05376 158.8
[M-H]- 238.08332 149.6
[M+Na-2H]- 260.06527 155.4
[M]+ 239.09005 151.9
[M]- 239.09115 151.9
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.