CID 215885

Cyclopentanecarbonitrile, 1-(phenylthio)-

Structural Information

Molecular Formula
C12H13NS
SMILES
C1CCC(C1)(C#N)SC2=CC=CC=C2
InChI
InChI=1S/C12H13NS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
InChIKey
HKQLCKBRPRLZLY-UHFFFAOYSA-N
Compound name
1-phenylsulfanylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07687 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08415 141.3
[M+Na]+ 226.06609 152.7
[M+NH4]+ 221.11069 149.3
[M+K]+ 242.04003 140.4
[M-H]- 202.06959 138.4
[M+Na-2H]- 224.05154 147.8
[M]+ 203.07632 141.9
[M]- 203.07742 141.9
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.