CID 84767503

En300-1736388

Structural Information

Molecular Formula
C10H11NS
SMILES
C1CCC2=C(C1)C=C(S2)CC#N
InChI
InChI=1S/C10H11NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h7H,1-5H2
InChIKey
GVMVXJKRDXHAJV-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 142.1
[M+Na]+ 200.05044 153.2
[M-H]- 176.05394 146.7
[M+NH4]+ 195.09504 163.9
[M+K]+ 216.02438 147.9
[M+H-H2O]+ 160.05848 130.9
[M+HCOO]- 222.05942 156.2
[M+CH3COO]- 236.07507 154.3
[M+Na-2H]- 198.03589 144.7
[M]+ 177.06067 137.4
[M]- 177.06177 137.4
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.