CID 498442

2-tert-butyl-1h-imidazole

Structural Information

Molecular Formula
C7H12N2
SMILES
CC(C)(C)C1=NC=CN1
InChI
InChI=1S/C7H12N2/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9)
InChIKey
CTUNHIMNHSKDBN-UHFFFAOYSA-N
Compound name
2-tert-butyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1308
Patents

124.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 127.3
[M+Na]+ 147.08927 135.7
[M-H]- 123.09277 127.1
[M+NH4]+ 142.13387 148.3
[M+K]+ 163.06321 134.0
[M+H-H2O]+ 107.09731 121.4
[M+HCOO]- 169.09825 147.6
[M+CH3COO]- 183.11390 167.8
[M+Na-2H]- 145.07472 134.3
[M]+ 124.09950 125.8
[M]- 124.10060 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe