CID 135524389

6-(chloromethyl)-2-cyclopropylpyrimidin-4-ol

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1CC1C2=NC(=CC(=O)N2)CCl
InChI
InChI=1S/C8H9ClN2O/c9-4-6-3-7(12)11-8(10-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11,12)
InChIKey
QAQUTJMSBGEFAX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-cyclopropyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

184.04034 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 138.8
[M+Na]+ 207.02956 150.6
[M-H]- 183.03306 142.4
[M+NH4]+ 202.07416 151.6
[M+K]+ 223.00350 144.6
[M+H-H2O]+ 167.03760 131.7
[M+HCOO]- 229.03854 155.9
[M+CH3COO]- 243.05419 180.4
[M+Na-2H]- 205.01501 145.0
[M]+ 184.03979 141.5
[M]- 184.04089 141.5
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

patents stripe