CID 4621483

1-methyl-2-(thiophene-2-carbonyl)-1h-imidazole

Structural Information

Molecular Formula
C9H8N2OS
SMILES
CN1C=CN=C1C(=O)C2=CC=CS2
InChI
InChI=1S/C9H8N2OS/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6H,1H3
InChIKey
GWTIRHWQCUAYAE-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 138.9
[M+Na]+ 215.024958 150.5
[M-H]- 191.028464 145.0
[M+NH4]+ 210.069563 160.4
[M+K]+ 230.998898 148.0
[M+H-H2O]+ 175.033000 132.5
[M+HCOO]- 237.033941 160.0
[M+CH3COO]- 251.049591 153.8
[M+Na-2H]- 213.010406 140.0
[M]+ 192.03519142 143.5
[M]- 192.03628858 143.5
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

No patent data available for this compound.