CID 55266631

2219371-88-5

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC1=CC(=CC=C1)S(=N)(=O)C
InChI
InChI=1S/C8H11NOS/c1-7-4-3-5-8(6-7)11(2,9)10/h3-6,9H,1-2H3
InChIKey
QTXLWZLMRDOCNA-UHFFFAOYSA-N
Compound name
imino-methyl-(3-methylphenyl)-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

169.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 135.1
[M+Na]+ 192.04536 147.0
[M+NH4]+ 187.08996 143.9
[M+K]+ 208.01930 139.2
[M-H]- 168.04886 137.4
[M+Na-2H]- 190.03081 141.8
[M]+ 169.05559 137.9
[M]- 169.05669 137.9
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