CID 2758523

3-(dimethylamino)thiophenol

Structural Information

Molecular Formula
C8H11NS
SMILES
CN(C)C1=CC(=CC=C1)S
InChI
InChI=1S/C8H11NS/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKey
XYWGNQJVOOIWCL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

153.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 128.9
[M+Na]+ 176.050438 137.2
[M-H]- 152.053944 134.6
[M+NH4]+ 171.095043 151.3
[M+K]+ 192.024378 135.9
[M+H-H2O]+ 136.058480 123.1
[M+HCOO]- 198.059421 149.8
[M+CH3COO]- 212.075071 181.7
[M+Na-2H]- 174.035886 133.2
[M]+ 153.06067142 131.5
[M]- 153.06176858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe