CID 3042322

Brn 0534993

Structural Information

Molecular Formula
C12H15NO3S
SMILES
COC1=CC=CC=C1OCC2CCNC(=S)O2
InChI
InChI=1S/C12H15NO3S/c1-14-10-4-2-3-5-11(10)15-8-9-6-7-13-12(17)16-9/h2-5,9H,6-8H2,1H3,(H,13,17)
InChIKey
ZIIPDCYAHOBWBZ-UHFFFAOYSA-N
Compound name
6-[(2-methoxyphenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 155.2
[M+Na]+ 276.06649 167.2
[M+NH4]+ 271.11109 163.0
[M+K]+ 292.04043 159.2
[M-H]- 252.06999 159.3
[M+Na-2H]- 274.05194 160.5
[M]+ 253.07672 158.4
[M]- 253.07782 158.4
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.