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]+ 240.097876 152.3
[M+Na]+ 262.079818 159.3
[M-H]- 238.083324 152.4
[M+NH4]+ 257.124423 166.3
[M+K]+ 278.053758 158.4
[M+H-H2O]+ 222.087860 145.1
[M+HCOO]- 284.088801 171.2
[M+CH3COO]- 298.104451 189.9
[M+Na-2H]- 260.065266 157.8
[M]+ 239.09005142 153.7
[M]- 239.09114858 153.7
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.