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]+ 168.11315 136.2
[M+Na]+ 190.09509 146.0
[M-H]- 166.09859 136.1
[M+NH4]+ 185.13969 153.7
[M+K]+ 206.06903 142.5
[M+H-H2O]+ 150.10313 129.5
[M+HCOO]- 212.10407 157.7
[M+CH3COO]- 226.11972 180.0
[M+Na-2H]- 188.08054 141.5
[M]+ 167.10532 135.0
[M]- 167.10642 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.