CID 13147219

N,n-dimethyl-4-sulfanylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

181.05614 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe