CID 63108986

2445786-00-3

Structural Information

Molecular Formula
C8H13ClN2
SMILES
CC(C)(C)C1=NC=C(N1)CCl
InChI
InChI=1S/C8H13ClN2/c1-8(2,3)7-10-5-6(4-9)11-7/h5H,4H2,1-3H3,(H,10,11)
InChIKey
GGFKKRHDDKXJCG-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(chloromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07672 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08400 138.3
[M+Na]+ 195.06594 147.8
[M-H]- 171.06944 138.0
[M+NH4]+ 190.11054 158.4
[M+K]+ 211.03988 143.8
[M+H-H2O]+ 155.07398 132.6
[M+HCOO]- 217.07492 153.4
[M+CH3COO]- 231.09057 175.8
[M+Na-2H]- 193.05139 143.4
[M]+ 172.07617 139.0
[M]- 172.07727 139.0
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

No patent data available for this compound.