CID 215571

35859-19-9

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CN(C)CCOC(=O)CSC1=CC=CC=C1
InChI
InChI=1S/C12H17NO2S/c1-13(2)8-9-15-12(14)10-16-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
FIDZEGPBRZRTBQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 154.6
[M+Na]+ 262.08722 160.1
[M-H]- 238.09072 159.2
[M+NH4]+ 257.13182 173.0
[M+K]+ 278.06116 158.5
[M+H-H2O]+ 222.09526 147.4
[M+HCOO]- 284.09620 173.9
[M+CH3COO]- 298.11185 195.7
[M+Na-2H]- 260.07267 156.5
[M]+ 239.09745 159.7
[M]- 239.09855 159.7
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.