CID 17929113

2-chloro-1,4,5-trimethyl-1h-imidazole

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CC1=C(N(C(=N1)Cl)C)C
InChI
InChI=1S/C6H9ClN2/c1-4-5(2)9(3)6(7)8-4/h1-3H3
InChIKey
SQPDSQKLKVNRJN-UHFFFAOYSA-N
Compound name
2-chloro-1,4,5-trimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

144.04543 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 126.1
[M+Na]+ 167.034648 138.2
[M-H]- 143.038154 127.8
[M+NH4]+ 162.079253 148.4
[M+K]+ 183.008588 135.3
[M+H-H2O]+ 127.042690 120.6
[M+HCOO]- 189.043631 144.9
[M+CH3COO]- 203.059281 175.1
[M+Na-2H]- 165.020096 130.8
[M]+ 144.04488142 129.3
[M]- 144.04597858 129.3
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