CID 12647303

76238-20-5

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CC1=C(N=C(N1)C)CCl
InChI
InChI=1S/C6H9ClN2/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3,(H,8,9)
InChIKey
DTQDBGVATRSORG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 127.5
[M+Na]+ 167.034648 138.3
[M-H]- 143.038154 127.4
[M+NH4]+ 162.079253 148.8
[M+K]+ 183.008588 134.4
[M+H-H2O]+ 127.042690 121.9
[M+HCOO]- 189.043631 144.8
[M+CH3COO]- 203.059281 171.3
[M+Na-2H]- 165.020096 132.4
[M]+ 144.04488142 128.5
[M]- 144.04597858 128.5
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