CID 135503458

Nsc635118

Structural Information

Molecular Formula
C8H8N4O3
SMILES
CC1=C(N=C(NC1=O)NC#N)C(=O)OC
InChI
InChI=1S/C8H8N4O3/c1-4-5(7(14)15-2)11-8(10-3-9)12-6(4)13/h1-2H3,(H2,10,11,12,13)
InChIKey
MBVVESNNYINVKL-UHFFFAOYSA-N
Compound name
methyl 2-(cyanoamino)-5-methyl-6-oxo-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 142.1
[M+Na]+ 231.04887 152.3
[M-H]- 207.05237 141.8
[M+NH4]+ 226.09347 155.7
[M+K]+ 247.02281 150.6
[M+H-H2O]+ 191.05691 128.1
[M+HCOO]- 253.05785 160.0
[M+CH3COO]- 267.07350 197.5
[M+Na-2H]- 229.03432 146.6
[M]+ 208.05910 137.6
[M]- 208.06020 137.6
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.