CID 10678591

4-[(thiophen-2-yl)methyl]-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1=CSC(=C1)CC2=CN=CN2
InChI
InChI=1S/C8H8N2S/c1-2-8(11-3-1)4-7-5-9-6-10-7/h1-3,5-6H,4H2,(H,9,10)
InChIKey
WJTRJFZWODRGDQ-UHFFFAOYSA-N
Compound name
5-(thiophen-2-ylmethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

164.04082 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.048096 131.0
[M+Na]+ 187.030038 142.0
[M-H]- 163.033544 135.2
[M+NH4]+ 182.074643 152.8
[M+K]+ 203.003978 138.6
[M+H-H2O]+ 147.038080 124.6
[M+HCOO]- 209.039021 151.6
[M+CH3COO]- 223.054671 145.5
[M+Na-2H]- 185.015486 133.9
[M]+ 164.04027142 132.9
[M]- 164.04136858 132.9
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