CID 84764715

En300-1869332

Structural Information

Molecular Formula
C9H9NS
SMILES
C1CC2=C(C1)SC(=C2)CC#N
InChI
InChI=1S/C9H9NS/c10-5-4-8-6-7-2-1-3-9(7)11-8/h6H,1-4H2
InChIKey
TVGHBHDYRLULDM-UHFFFAOYSA-N
Compound name
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05286 141.2
[M+Na]+ 186.03480 153.7
[M-H]- 162.03830 146.4
[M+NH4]+ 181.07940 165.1
[M+K]+ 202.00874 148.9
[M+H-H2O]+ 146.04284 130.3
[M+HCOO]- 208.04378 157.4
[M+CH3COO]- 222.05943 154.4
[M+Na-2H]- 184.02025 142.7
[M]+ 163.04503 138.3
[M]- 163.04613 138.3
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.