CID 121359

1131-81-3

Structural Information

Molecular Formula
C11H17NS
SMILES
CC(C)NCC(C1=CC=CC=C1)S
InChI
InChI=1S/C11H17NS/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKey
HUODVZWMSKRYQT-UHFFFAOYSA-N
Compound name
1-phenyl-2-(propan-2-ylamino)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 143.8
[M+Na]+ 218.097388 149.1
[M-H]- 194.100894 147.1
[M+NH4]+ 213.141993 163.4
[M+K]+ 234.071328 146.5
[M+H-H2O]+ 178.105430 137.4
[M+HCOO]- 240.106371 161.2
[M+CH3COO]- 254.122021 187.7
[M+Na-2H]- 216.082836 145.6
[M]+ 195.10762142 144.5
[M]- 195.10871858 144.5
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.