CID 3044903

57841-31-3

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CC1=CC=C(C=C1)OCC2CCNC(=S)O2
InChI
InChI=1S/C12H15NO2S/c1-9-2-4-10(5-3-9)14-8-11-6-7-13-12(16)15-11/h2-5,11H,6-8H2,1H3,(H,13,16)
InChIKey
UYYVNPBCKABHTR-UHFFFAOYSA-N
Compound name
6-[(4-methylphenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 152.0
[M+Na]+ 260.07157 164.5
[M+NH4]+ 255.11617 160.4
[M+K]+ 276.04551 156.0
[M-H]- 236.07507 156.6
[M+Na-2H]- 258.05702 157.8
[M]+ 237.08180 155.5
[M]- 237.08290 155.5
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.