CID 3054036

Brn 0530346

Structural Information

Molecular Formula
C13H17NO3S
SMILES
COC1=C(C(=CC=C1)OC)C(=S)N2CCOCC2
InChI
InChI=1S/C13H17NO3S/c1-15-10-4-3-5-11(16-2)12(10)13(18)14-6-8-17-9-7-14/h3-5H,6-9H2,1-2H3
InChIKey
YHJOZVUUGPOXDC-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl)-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 159.2
[M+Na]+ 290.08215 165.3
[M-H]- 266.08565 164.8
[M+NH4]+ 285.12675 173.5
[M+K]+ 306.05609 163.8
[M+H-H2O]+ 250.09019 151.5
[M+HCOO]- 312.09113 172.4
[M+CH3COO]- 326.10678 194.2
[M+Na-2H]- 288.06760 160.3
[M]+ 267.09238 160.7
[M]- 267.09348 160.7
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.