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

10
Patents

144.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05271 127.5
[M+Na]+ 167.03465 138.3
[M-H]- 143.03815 127.4
[M+NH4]+ 162.07925 148.8
[M+K]+ 183.00859 134.4
[M+H-H2O]+ 127.04269 121.9
[M+HCOO]- 189.04363 144.8
[M+CH3COO]- 203.05928 171.3
[M+Na-2H]- 165.02010 132.4
[M]+ 144.04488 128.5
[M]- 144.04598 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