CID 3044898

57841-14-2

Structural Information

Molecular Formula
C12H15NO3S
SMILES
COC1=CC=C(C=C1)OCC2CCNC(=S)O2
InChI
InChI=1S/C12H15NO3S/c1-14-9-2-4-10(5-3-9)15-8-11-6-7-13-12(17)16-11/h2-5,11H,6-8H2,1H3,(H,13,17)
InChIKey
RUPPKWIBJNWUAT-UHFFFAOYSA-N
Compound name
6-[(4-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 154.6
[M+Na]+ 276.06649 160.9
[M-H]- 252.06999 158.9
[M+NH4]+ 271.11109 168.8
[M+K]+ 292.04043 158.2
[M+H-H2O]+ 236.07453 147.2
[M+HCOO]- 298.07547 167.7
[M+CH3COO]- 312.09112 188.5
[M+Na-2H]- 274.05194 156.9
[M]+ 253.07672 154.6
[M]- 253.07782 154.6
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.