CID 33676427

3-(2-aminoethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride

Structural Information

Molecular Formula
C7H11N3O
SMILES
CC1=CC(=O)N(C=N1)CCN
InChI
InChI=1S/C7H11N3O/c1-6-4-7(11)10(3-2-8)5-9-6/h4-5H,2-3,8H2,1H3
InChIKey
NTUNUJOFFAFXTP-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-6-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 130.7
[M+Na]+ 176.07943 140.4
[M-H]- 152.08293 131.8
[M+NH4]+ 171.12403 149.1
[M+K]+ 192.05337 138.1
[M+H-H2O]+ 136.08747 123.6
[M+HCOO]- 198.08841 154.1
[M+CH3COO]- 212.10406 178.3
[M+Na-2H]- 174.06488 137.9
[M]+ 153.08966 130.7
[M]- 153.09076 130.7
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.