CID 60069416

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

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=CN=C(N1C)Cl
InChI
InChI=1S/C5H7ClN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3
InChIKey
ZZYICRCDLICFHF-UHFFFAOYSA-N
Compound name
2-chloro-1,5-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

130.02977 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.037046 121.9
[M+Na]+ 153.018988 133.5
[M-H]- 129.022494 123.4
[M+NH4]+ 148.063593 144.5
[M+K]+ 168.992928 130.9
[M+H-H2O]+ 113.027030 116.2
[M+HCOO]- 175.027971 141.1
[M+CH3COO]- 189.043621 171.0
[M+Na-2H]- 151.004436 127.8
[M]+ 130.02922142 124.4
[M]- 130.03031858 124.4
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