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]+ 182.09979 138.2
[M+Na]+ 204.08173 145.4
[M-H]- 180.08523 143.7
[M+NH4]+ 199.12633 159.5
[M+K]+ 220.05567 144.0
[M+H-H2O]+ 164.08977 132.1
[M+HCOO]- 226.09071 157.5
[M+CH3COO]- 240.10636 188.5
[M+Na-2H]- 202.06718 140.4
[M]+ 181.09196 141.0
[M]- 181.09306 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