CID 3063640

Cyclopentanecarboxamide, 1-(phenylthio)-

Structural Information

Molecular Formula
C12H15NOS
SMILES
C1CCC(C1)(C(=O)N)SC2=CC=CC=C2
InChI
InChI=1S/C12H15NOS/c13-11(14)12(8-4-5-9-12)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)
InChIKey
BLIITTHNXRSDLD-UHFFFAOYSA-N
Compound name
1-phenylsulfanylcyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08743 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09471 149.4
[M+Na]+ 244.07665 159.0
[M+NH4]+ 239.12125 160.0
[M+K]+ 260.05059 150.6
[M-H]- 220.08015 153.4
[M+Na-2H]- 242.06210 157.1
[M]+ 221.08688 152.3
[M]- 221.08798 152.3
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.