CID 201898

Ethanethiol, 2-((3-phenylpropyl)amino)-

Structural Information

Molecular Formula
C11H17NS
SMILES
C1=CC=C(C=C1)CCCNCCS
InChI
InChI=1S/C11H17NS/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKey
RBVWPBQBBAPURH-UHFFFAOYSA-N
Compound name
2-(3-phenylpropylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.115446 142.4
[M+Na]+ 218.097388 148.3
[M-H]- 194.100894 145.6
[M+NH4]+ 213.141993 162.1
[M+K]+ 234.071328 144.8
[M+H-H2O]+ 178.105430 135.9
[M+HCOO]- 240.106371 161.9
[M+CH3COO]- 254.122021 186.1
[M+Na-2H]- 216.082836 146.6
[M]+ 195.10762142 144.4
[M]- 195.10871858 144.4
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.