CID 66066343

{1-[(4-methylphenyl)sulfanyl]cyclopentyl}methanamine

Structural Information

Molecular Formula
C13H19NS
SMILES
CC1=CC=C(C=C1)SC2(CCCC2)CN
InChI
InChI=1S/C13H19NS/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKey
WIQHRTCQIDULMI-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13111 150.2
[M+Na]+ 244.11305 160.9
[M+NH4]+ 239.15765 161.7
[M+K]+ 260.08699 151.2
[M-H]- 220.11655 155.3
[M+Na-2H]- 242.09850 158.4
[M]+ 221.12328 153.8
[M]- 221.12438 153.8
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.