CID 30033000

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

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=C(N=C(N1)Cl)C
InChI
InChI=1S/C5H7ClN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)
InChIKey
GLTFDLMWNUVVOJ-UHFFFAOYSA-N
Compound name
2-chloro-4,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

130.02977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.8
[M+Na]+ 153.01899 134.0
[M-H]- 129.02249 122.9
[M+NH4]+ 148.06359 144.7
[M+K]+ 168.99293 130.4
[M+H-H2O]+ 113.02703 117.5
[M+HCOO]- 175.02797 140.5
[M+CH3COO]- 189.04362 168.3
[M+Na-2H]- 151.00444 128.2
[M]+ 130.02922 123.4
[M]- 130.03032 123.4
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