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

61
Patents

164.04082 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 131.0
[M+Na]+ 187.03004 142.0
[M-H]- 163.03354 135.2
[M+NH4]+ 182.07464 152.8
[M+K]+ 203.00398 138.6
[M+H-H2O]+ 147.03808 124.6
[M+HCOO]- 209.03902 151.6
[M+CH3COO]- 223.05467 145.5
[M+Na-2H]- 185.01549 133.9
[M]+ 164.04027 132.9
[M]- 164.04137 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