CID 3061416

79128-46-4

Structural Information

Molecular Formula
C11H15NOS
SMILES
COC1=CC=C(C=C1)C2NCCCS2
InChI
InChI=1S/C11H15NOS/c1-13-10-5-3-9(4-6-10)11-12-7-2-8-14-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
UXELVAFQHHYRFQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 144.5
[M+Na]+ 232.07665 156.9
[M+NH4]+ 227.12125 154.1
[M+K]+ 248.05059 147.7
[M-H]- 208.08015 148.6
[M+Na-2H]- 230.06210 151.9
[M]+ 209.08688 147.9
[M]- 209.08798 147.9
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.