CID 1417908

2-(chloromethyl)imidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CN2C=C(N=C2N=C1)CCl
InChI
InChI=1S/C7H6ClN3/c8-4-6-5-11-3-1-2-9-7(11)10-6/h1-3,5H,4H2
InChIKey
MUPOENNBNNSJQP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)imidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.2
[M+Na]+ 190.01424 141.7
[M-H]- 166.01774 130.1
[M+NH4]+ 185.05884 149.7
[M+K]+ 205.98818 137.3
[M+H-H2O]+ 150.02228 121.8
[M+HCOO]- 212.02322 147.8
[M+CH3COO]- 226.03887 143.6
[M+Na-2H]- 187.99969 138.6
[M]+ 167.02447 133.0
[M]- 167.02557 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe