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

9
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

literature stripe

Patent stripe

patents stripe