CID 135854964

6-amino-5-propyl-4-pyrimidinol

Structural Information

Molecular Formula
C7H11N3O
SMILES
CCCC1=C(N=CNC1=O)N
InChI
InChI=1S/C7H11N3O/c1-2-3-5-6(8)9-4-10-7(5)11/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKey
QIZNVEHPEPIHKF-UHFFFAOYSA-N
Compound name
4-amino-5-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 131.5
[M+Na]+ 176.079428 140.8
[M-H]- 152.082934 131.2
[M+NH4]+ 171.124033 149.2
[M+K]+ 192.053368 137.5
[M+H-H2O]+ 136.087470 124.7
[M+HCOO]- 198.088411 153.4
[M+CH3COO]- 212.104061 175.7
[M+Na-2H]- 174.064876 138.1
[M]+ 153.08966142 129.6
[M]- 153.09075858 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.