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]+ 240.105276 154.6
[M+Na]+ 262.087218 160.1
[M-H]- 238.090724 159.2
[M+NH4]+ 257.131823 173.0
[M+K]+ 278.061158 158.5
[M+H-H2O]+ 222.095260 147.4
[M+HCOO]- 284.096201 173.9
[M+CH3COO]- 298.111851 195.7
[M+Na-2H]- 260.072666 156.5
[M]+ 239.09745142 159.7
[M]- 239.09854858 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.