CID 312953

6-(aminomethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1=C(NC(=O)NC1=O)CN
InChI
InChI=1S/C5H7N3O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2,6H2,(H2,7,8,9,10)
InChIKey
UMEHPGXESZPRFZ-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

141.05383 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 125.4
[M+Na]+ 164.04305 135.3
[M-H]- 140.04655 124.1
[M+NH4]+ 159.08765 142.7
[M+K]+ 180.01699 131.5
[M+H-H2O]+ 124.05109 119.1
[M+HCOO]- 186.05203 146.8
[M+CH3COO]- 200.06768 168.6
[M+Na-2H]- 162.02850 132.5
[M]+ 141.05328 121.6
[M]- 141.05438 121.6
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

patents stripe