CID 215577

35859-26-8

Structural Information

Molecular Formula
C14H19NO3S
SMILES
C1COCCN1CCOC(=O)CSC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3S/c16-14(12-19-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15/h1-5H,6-12H2
InChIKey
OFSOYGNGQVECTF-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 163.7
[M+Na]+ 304.09777 167.5
[M-H]- 280.10127 168.3
[M+NH4]+ 299.14237 176.7
[M+K]+ 320.07171 165.7
[M+H-H2O]+ 264.10581 155.3
[M+HCOO]- 326.10675 176.6
[M+CH3COO]- 340.12240 194.8
[M+Na-2H]- 302.08322 165.6
[M]+ 281.10800 164.6
[M]- 281.10910 164.6
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.