CID 135854961

6-amino-2-methyl-5-propyl-4-pyrimidinol

Structural Information

Molecular Formula
C8H13N3O
SMILES
CCCC1=C(N=C(NC1=O)C)N
InChI
InChI=1S/C8H13N3O/c1-3-4-6-7(9)10-5(2)11-8(6)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKey
BJQUSXNOSUWNPN-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.2
[M+Na]+ 190.095088 146.0
[M-H]- 166.098594 136.1
[M+NH4]+ 185.139693 153.7
[M+K]+ 206.069028 142.5
[M+H-H2O]+ 150.103130 129.5
[M+HCOO]- 212.104071 157.7
[M+CH3COO]- 226.119721 180.0
[M+Na-2H]- 188.080536 141.5
[M]+ 167.10532142 135.0
[M]- 167.10641858 135.0
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.