CID 135929318

6-(2-aminoethyl)-2-methylpyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C7H11N3O
SMILES
CC1=NC(=CC(=O)N1)CCN
InChI
InChI=1S/C7H11N3O/c1-5-9-6(2-3-8)4-7(11)10-5/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKey
JMPZLHXAOVMOHR-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 131.5
[M+Na]+ 176.07943 140.8
[M-H]- 152.08293 131.2
[M+NH4]+ 171.12403 149.2
[M+K]+ 192.05337 137.5
[M+H-H2O]+ 136.08747 124.7
[M+HCOO]- 198.08841 153.4
[M+CH3COO]- 212.10406 175.7
[M+Na-2H]- 174.06488 138.1
[M]+ 153.08966 129.6
[M]- 153.09076 129.6
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

No patent data available for this compound.