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

105
Patents

153.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 130.3
[M+Na]+ 176.05044 143.2
[M+NH4]+ 171.09504 140.8
[M+K]+ 192.02438 134.4
[M-H]- 152.05394 134.7
[M+Na-2H]- 174.03589 138.2
[M]+ 153.06067 134.0
[M]- 153.06177 134.0
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