CID 3048485

63906-74-1

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CC1C(OC(=O)C(=S)N1C)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-8-10(9-6-4-3-5-7-9)15-12(14)11(16)13(8)2/h3-8,10H,1-2H3
InChIKey
AZQZQURTWYHNAH-UHFFFAOYSA-N
Compound name
4,5-dimethyl-6-phenyl-3-sulfanylidenemorpholin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07398 149.7
[M+Na]+ 258.05592 158.7
[M-H]- 234.05942 156.2
[M+NH4]+ 253.10052 165.9
[M+K]+ 274.02986 155.8
[M+H-H2O]+ 218.06396 142.8
[M+HCOO]- 280.06490 164.1
[M+CH3COO]- 294.08055 190.5
[M+Na-2H]- 256.04137 150.9
[M]+ 235.06615 150.2
[M]- 235.06725 150.2
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

No patent data available for this compound.