CID 55254426

1896751-89-5

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1=C(NC(=O)NC1=O)CCN
InChI
InChI=1S/C6H9N3O2/c7-2-1-4-3-5(10)9-6(11)8-4/h3H,1-2,7H2,(H2,8,9,10,11)
InChIKey
JJIRVHQXOLYDNN-UHFFFAOYSA-N
Compound name
6-(2-aminoethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.06947 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 129.9
[M+Na]+ 178.05869 139.3
[M-H]- 154.06219 128.4
[M+NH4]+ 173.10329 146.6
[M+K]+ 194.03263 135.3
[M+H-H2O]+ 138.06673 123.3
[M+HCOO]- 200.06767 151.0
[M+CH3COO]- 214.08332 171.7
[M+Na-2H]- 176.04414 136.4
[M]+ 155.06892 126.4
[M]- 155.07002 126.4
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