CID 135854968

5-hexyl-6-methyl-4-pyrimidinol

Structural Information

Molecular Formula
C11H18N2O
SMILES
CCCCCCC1=C(N=CNC1=O)C
InChI
InChI=1S/C11H18N2O/c1-3-4-5-6-7-10-9(2)12-8-13-11(10)14/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKey
MCTGQFTYMMFWLE-UHFFFAOYSA-N
Compound name
5-hexyl-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 144.7
[M+Na]+ 217.131118 153.0
[M-H]- 193.134624 144.2
[M+NH4]+ 212.175723 161.4
[M+K]+ 233.105058 149.3
[M+H-H2O]+ 177.139160 137.5
[M+HCOO]- 239.140101 164.8
[M+CH3COO]- 253.155751 183.6
[M+Na-2H]- 215.116566 149.9
[M]+ 194.14135142 146.0
[M]- 194.14244858 146.0
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.