CID 3076675

Alpha-((2-(dimethylamino)ethoxy)methyl)-2-thiophenemethanol hydrochloride

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CN(C)CCOCC(C1=CC=CS1)O
InChI
InChI=1S/C10H17NO2S/c1-11(2)5-6-13-8-9(12)10-4-3-7-14-10/h3-4,7,9,12H,5-6,8H2,1-2H3
InChIKey
CVGCSWKYYWNOCG-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.098 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 150.0
[M+Na]+ 238.08722 155.6
[M-H]- 214.09072 153.5
[M+NH4]+ 233.13182 170.5
[M+K]+ 254.06116 154.6
[M+H-H2O]+ 198.09526 143.7
[M+HCOO]- 260.09620 169.0
[M+CH3COO]- 274.11185 188.7
[M+Na-2H]- 236.07267 150.1
[M]+ 215.09745 154.1
[M]- 215.09855 154.1
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

patents stripe