CID 82593996

5-(2-aminoethyl)pyrimidin-2-ol dihydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=C(C=NC(=O)N1)CCN
InChI
InChI=1S/C6H9N3O/c7-2-1-5-3-8-6(10)9-4-5/h3-4H,1-2,7H2,(H,8,9,10)
InChIKey
CDEXSHPWORJAQO-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.8
[M+Na]+ 162.063768 135.5
[M-H]- 138.067274 126.2
[M+NH4]+ 157.108373 144.7
[M+K]+ 178.037708 132.5
[M+H-H2O]+ 122.071810 119.9
[M+HCOO]- 184.072751 149.0
[M+CH3COO]- 198.088401 171.5
[M+Na-2H]- 160.049216 134.7
[M]+ 139.07400142 124.1
[M]- 139.07509858 124.1
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.