CID 460641

2-(1,3-thiazolin-2-ylmethyl)thiophene

Structural Information

Molecular Formula
C8H9NS2
SMILES
C1CSC(=N1)CC2=CC=CS2
InChI
InChI=1S/C8H9NS2/c1-2-7(10-4-1)6-8-9-3-5-11-8/h1-2,4H,3,5-6H2
InChIKey
FNIWFEKLXKGORF-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01764 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02492 136.7
[M+Na]+ 206.00686 146.9
[M-H]- 182.01036 143.0
[M+NH4]+ 201.05146 160.0
[M+K]+ 221.98080 144.0
[M+H-H2O]+ 166.01490 131.5
[M+HCOO]- 228.01584 151.8
[M+CH3COO]- 242.03149 150.8
[M+Na-2H]- 203.99231 135.9
[M]+ 183.01709 138.5
[M]- 183.01819 138.5
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.