CID 25037842

(s)-(+)-n,s-dimethyl-s-phenylsulfoximine

Structural Information

Molecular Formula
C8H11NOS
SMILES
CN=[S@](=O)(C)C1=CC=CC=C1
InChI
InChI=1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1
InChIKey
OQWUXWSLVBGOIX-NSHDSACASA-N
Compound name
methyl-methylimino-oxo-phenyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.05614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 132.8
[M+Na]+ 192.045358 141.4
[M-H]- 168.048864 138.3
[M+NH4]+ 187.089963 154.4
[M+K]+ 208.019298 139.2
[M+H-H2O]+ 152.053400 127.1
[M+HCOO]- 214.054341 153.9
[M+CH3COO]- 228.069991 179.6
[M+Na-2H]- 190.030806 139.4
[M]+ 169.05559142 135.0
[M]- 169.05668858 135.0
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

No patent data available for this compound.