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

15
Patents

215.098 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.105276 150.0
[M+Na]+ 238.087218 155.6
[M-H]- 214.090724 153.5
[M+NH4]+ 233.131823 170.5
[M+K]+ 254.061158 154.6
[M+H-H2O]+ 198.095260 143.7
[M+HCOO]- 260.096201 169.0
[M+CH3COO]- 274.111851 188.7
[M+Na-2H]- 236.072666 150.1
[M]+ 215.09745142 154.1
[M]- 215.09854858 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