CID 6395620

2-[(1r)-1-(dimethylamino)ethyl]benzene-1-thiol lithium

Structural Information

Molecular Formula
C10H15NS
SMILES
CC(C1=CC=CC=C1S)N(C)C
InChI
InChI=1S/C10H15NS/c1-8(11(2)3)9-6-4-5-7-10(9)12/h4-8,12H,1-3H3
InChIKey
VJMIMNPPYKERKN-UHFFFAOYSA-N
Compound name
2-[1-(dimethylamino)ethyl]benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.09251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 138.2
[M+Na]+ 204.081728 145.4
[M-H]- 180.085234 143.7
[M+NH4]+ 199.126333 159.5
[M+K]+ 220.055668 144.0
[M+H-H2O]+ 164.089770 132.1
[M+HCOO]- 226.090711 157.5
[M+CH3COO]- 240.106361 188.5
[M+Na-2H]- 202.067176 140.4
[M]+ 181.09196142 141.0
[M]- 181.09305858 141.0
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

patents stripe