CID 37013

2-(phenylthio)ethanamine

Structural Information

Molecular Formula
C8H11NS
SMILES
C1=CC=C(C=C1)SCCN
InChI
InChI=1S/C8H11NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
UBKQRASXZMLQRJ-UHFFFAOYSA-N
Compound name
2-phenylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

1172
Patents

153.06122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 129.9
[M+Na]+ 176.05044 141.9
[M+NH4]+ 171.09504 140.0
[M+K]+ 192.02438 132.7
[M-H]- 152.05394 133.7
[M+Na-2H]- 174.03589 137.3
[M]+ 153.06067 133.1
[M]- 153.06177 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe