CID 642006

121034-23-9

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC1=CC=CC=C1S(=N)(=O)C
InChI
InChI=1S/C8H11NOS/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6,9H,1-2H3
InChIKey
YXYQWKDOYMFWKK-UHFFFAOYSA-N
Compound name
imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 132.3
[M+Na]+ 192.045358 141.3
[M-H]- 168.048864 136.8
[M+NH4]+ 187.089963 153.4
[M+K]+ 208.019298 138.1
[M+H-H2O]+ 152.053400 127.1
[M+HCOO]- 214.054341 151.9
[M+CH3COO]- 228.069991 178.7
[M+Na-2H]- 190.030806 137.9
[M]+ 169.05559142 133.2
[M]- 169.05668858 133.2
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