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]+ 196.11545 143.8
[M+Na]+ 218.09739 155.0
[M+NH4]+ 213.14199 153.5
[M+K]+ 234.07133 147.0
[M-H]- 194.10089 147.6
[M+Na-2H]- 216.08284 150.6
[M]+ 195.10762 147.0
[M]- 195.10872 147.0
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.