CID 63769170

1909326-20-0

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=CN=CN(C1=O)CCN
InChI
InChI=1S/C6H9N3O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4,7H2
InChIKey
BMPXAQFBGWZPTL-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.07455 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.0
[M+Na]+ 162.063768 135.2
[M-H]- 138.067274 126.9
[M+NH4]+ 157.108373 144.7
[M+K]+ 178.037708 133.1
[M+H-H2O]+ 122.071810 118.9
[M+HCOO]- 184.072751 149.8
[M+CH3COO]- 198.088401 174.1
[M+Na-2H]- 160.049216 134.5
[M]+ 139.07400142 125.2
[M]- 139.07509858 125.2
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