CID 130986874

2-(chloromethyl)-1,4,5,6-tetrahydropyrimidin-5-ol hydrochloride

Structural Information

Molecular Formula
C5H9ClN2O
SMILES
C1C(CN=C(N1)CCl)O
InChI
InChI=1S/C5H9ClN2O/c6-1-5-7-2-4(9)3-8-5/h4,9H,1-3H2,(H,7,8)
InChIKey
WBXOELDIIZYTEL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,4,5,6-tetrahydropyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04034 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04762 128.1
[M+Na]+ 171.02956 135.9
[M-H]- 147.03306 125.8
[M+NH4]+ 166.07416 146.2
[M+K]+ 187.00350 132.1
[M+H-H2O]+ 131.03760 122.5
[M+HCOO]- 193.03854 141.0
[M+CH3COO]- 207.05419 167.1
[M+Na-2H]- 169.01501 134.3
[M]+ 148.03979 124.5
[M]- 148.04089 124.5
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

No patent data available for this compound.