CID 84764715

2-{4h,5h,6h-cyclopenta[b]thiophen-2-yl}acetonitrile

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]+ 164.052856 141.2
[M+Na]+ 186.034798 153.7
[M-H]- 162.038304 146.4
[M+NH4]+ 181.079403 165.1
[M+K]+ 202.008738 148.9
[M+H-H2O]+ 146.042840 130.3
[M+HCOO]- 208.043781 157.4
[M+CH3COO]- 222.059431 154.4
[M+Na-2H]- 184.020246 142.7
[M]+ 163.04503142 138.3
[M]- 163.04612858 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.