CID 88718

20877-02-5

Structural Information

Molecular Formula
C9H11NOS
SMILES
CN(C)C(=O)C1=CC=CC=C1S
InChI
InChI=1S/C9H11NOS/c1-10(2)9(11)7-5-3-4-6-8(7)12/h3-6,12H,1-2H3
InChIKey
FXRWSGAWEVMMJW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

66
Patents

181.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 136.6
[M+Na]+ 204.045358 144.4
[M-H]- 180.048864 142.2
[M+NH4]+ 199.089963 157.7
[M+K]+ 220.019298 143.2
[M+H-H2O]+ 164.053400 130.5
[M+HCOO]- 226.054341 156.6
[M+CH3COO]- 240.069991 185.9
[M+Na-2H]- 202.030806 139.3
[M]+ 181.05559142 139.6
[M]- 181.05668858 139.6
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