CID 420617

24194-10-3

Structural Information

Molecular Formula
C9H13NS
SMILES
CC1=CC=C(C=C1)SCCN
InChI
InChI=1S/C9H13NS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
UICHAGDPKJUFAE-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

167.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 134.4
[M+Na]+ 190.06609 146.6
[M+NH4]+ 185.11069 144.3
[M+K]+ 206.04003 137.3
[M-H]- 166.06959 138.2
[M+Na-2H]- 188.05154 141.3
[M]+ 167.07632 137.7
[M]- 167.07742 137.7
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

patents stripe