CID 3076588

131961-52-9

Structural Information

Molecular Formula
C13H21NO2S
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)SC)O
InChI
InChI=1S/C13H21NO2S/c1-14(2)8-9-16-10-13(15)11-4-6-12(17-3)7-5-11/h4-7,13,15H,8-10H2,1-3H3
InChIKey
QWJCXHSHMYVKKL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(4-methylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1293 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13658 159.0
[M+Na]+ 278.11852 168.9
[M+NH4]+ 273.16312 166.9
[M+K]+ 294.09246 161.2
[M-H]- 254.12202 161.3
[M+Na-2H]- 276.10397 163.8
[M]+ 255.12875 161.4
[M]- 255.12985 161.4
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.