CID 55288224

2-(2-chloroethyl)-1,4,5,6-tetrahydropyrimidine hydrochloride

Structural Information

Molecular Formula
C6H11ClN2
SMILES
C1CNC(=NC1)CCCl
InChI
InChI=1S/C6H11ClN2/c7-3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)
InChIKey
UGGHKXAINPRGAJ-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.06108 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06836 129.2
[M+Na]+ 169.05030 136.1
[M-H]- 145.05380 127.7
[M+NH4]+ 164.09490 147.8
[M+K]+ 185.02424 132.4
[M+H-H2O]+ 129.05834 122.9
[M+HCOO]- 191.05928 143.0
[M+CH3COO]- 205.07493 169.7
[M+Na-2H]- 167.03575 136.1
[M]+ 146.06053 126.0
[M]- 146.06163 126.0
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.