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]+ 170.06342 132.8
[M+Na]+ 192.04536 141.4
[M-H]- 168.04886 138.3
[M+NH4]+ 187.08996 154.4
[M+K]+ 208.01930 139.2
[M+H-H2O]+ 152.05340 127.1
[M+HCOO]- 214.05434 153.9
[M+CH3COO]- 228.06999 179.6
[M+Na-2H]- 190.03081 139.4
[M]+ 169.05559 135.0
[M]- 169.05669 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.