CID 37818400

2-chloro-1-isopropyl-1h-imidazole

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CC(C)N1C=CN=C1Cl
InChI
InChI=1S/C6H9ClN2/c1-5(2)9-4-3-8-6(9)7/h3-5H,1-2H3
InChIKey
DASXVMCVZIOXGG-UHFFFAOYSA-N
Compound name
2-chloro-1-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.04543 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 127.1
[M+Na]+ 167.034648 137.1
[M-H]- 143.038154 128.2
[M+NH4]+ 162.079253 148.7
[M+K]+ 183.008588 134.6
[M+H-H2O]+ 127.042690 121.0
[M+HCOO]- 189.043631 145.0
[M+CH3COO]- 203.059281 173.7
[M+Na-2H]- 165.020096 132.0
[M]+ 144.04488142 129.0
[M]- 144.04597858 129.0
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