CID 115012025

2034157-29-2

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C=C(C(=O)NC1=O)CN
InChI
InChI=1S/C6H9N3O2/c1-9-3-4(2-7)5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
InChIKey
AOCAXMNRGAZEOA-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 129.1
[M+Na]+ 178.05869 140.0
[M-H]- 154.06219 129.4
[M+NH4]+ 173.10329 147.0
[M+K]+ 194.03263 136.9
[M+H-H2O]+ 138.06673 122.6
[M+HCOO]- 200.06767 151.8
[M+CH3COO]- 214.08332 175.3
[M+Na-2H]- 176.04414 135.5
[M]+ 155.06892 128.0
[M]- 155.07002 128.0
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.