CID 37364

Thioglycolic acid o-toluidide

Structural Information

Molecular Formula
C9H11NOS
SMILES
CC1=CC=CC=C1NC(=O)CS
InChI
InChI=1S/C9H11NOS/c1-7-4-2-3-5-8(7)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11)
InChIKey
TVBOSLXNNWWFEN-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

181.05614 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 137.9
[M+Na]+ 204.04536 149.6
[M+NH4]+ 199.08996 147.0
[M+K]+ 220.01930 141.4
[M-H]- 180.04886 140.9
[M+Na-2H]- 202.03081 144.4
[M]+ 181.05559 140.9
[M]- 181.05669 140.9
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