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

58
Patents

181.05614 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 136.6
[M+Na]+ 204.04536 144.4
[M-H]- 180.04886 142.2
[M+NH4]+ 199.08996 157.7
[M+K]+ 220.01930 143.2
[M+H-H2O]+ 164.05340 130.5
[M+HCOO]- 226.05434 156.6
[M+CH3COO]- 240.06999 185.9
[M+Na-2H]- 202.03081 139.3
[M]+ 181.05559 139.6
[M]- 181.05669 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