CID 120848

942-50-7

Structural Information

Molecular Formula
C11H17NS
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)S)N(C)C
InChI
InChI=1S/C11H17NS/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1
InChIKey
YSXALYQYWRGRCA-GXSJLCMTSA-N
Compound name
(1S,2S)-2-(dimethylamino)-1-phenylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.115446 143.8
[M+Na]+ 218.097388 149.2
[M-H]- 194.100894 148.6
[M+NH4]+ 213.141993 164.0
[M+K]+ 234.071328 148.1
[M+H-H2O]+ 178.105430 137.2
[M+HCOO]- 240.106371 161.6
[M+CH3COO]- 254.122021 191.3
[M+Na-2H]- 216.082836 144.9
[M]+ 195.10762142 145.8
[M]- 195.10871858 145.8
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.