CID 938071

70733-87-8

Structural Information

Molecular Formula
C12H15NO3S
SMILES
COC1=CC=CC(=C1O)C(=S)N2CCOCC2
InChI
InChI=1S/C12H15NO3S/c1-15-10-4-2-3-9(11(10)14)12(17)13-5-7-16-8-6-13/h2-4,14H,5-8H2,1H3
InChIKey
VIQQBZNWNNBJAQ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-methoxyphenyl)-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 155.1
[M+Na]+ 276.06649 161.1
[M-H]- 252.06999 159.4
[M+NH4]+ 271.11109 169.2
[M+K]+ 292.04043 158.9
[M+H-H2O]+ 236.07453 147.9
[M+HCOO]- 298.07547 167.1
[M+CH3COO]- 312.09112 188.8
[M+Na-2H]- 274.05194 156.3
[M]+ 253.07672 154.4
[M]- 253.07782 154.4
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.