CID 101178

72286-34-1

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1CSC(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NOS/c12-9-6-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKey
VZWNUWCMQQDYER-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.063416 139.3
[M+Na]+ 216.045358 145.8
[M-H]- 192.048864 142.9
[M+NH4]+ 211.089963 157.0
[M+K]+ 232.019298 141.5
[M+H-H2O]+ 176.053400 132.6
[M+HCOO]- 238.054341 153.4
[M+CH3COO]- 252.069991 151.0
[M+Na-2H]- 214.030806 142.3
[M]+ 193.05559142 134.8
[M]- 193.05668858 134.8
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