CID 426329

79983-34-9

Structural Information

Molecular Formula
C5H9ClN2
SMILES
C1CNC(=NC1)CCl
InChI
InChI=1S/C5H9ClN2/c6-4-5-7-2-1-3-8-5/h1-4H2,(H,7,8)
InChIKey
MATQOBLZWGLAFD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

132.04543 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05271 124.7
[M+Na]+ 155.03465 132.0
[M-H]- 131.03815 123.4
[M+NH4]+ 150.07925 143.8
[M+K]+ 171.00859 128.6
[M+H-H2O]+ 115.04269 118.6
[M+HCOO]- 177.04363 138.8
[M+CH3COO]- 191.05928 166.6
[M+Na-2H]- 153.02010 132.1
[M]+ 132.04488 121.1
[M]- 132.04598 121.1
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