CID 3044796

1-(3,4-dimethoxy-2-thienyl)-2-isopropylamino-ethanol hydrochloride

Structural Information

Molecular Formula
C11H19NO3S
SMILES
CC(C)NCC(C1=C(C(=CS1)OC)OC)O
InChI
InChI=1S/C11H19NO3S/c1-7(2)12-5-8(13)11-10(15-4)9(14-3)6-16-11/h6-8,12-13H,5H2,1-4H3
InChIKey
GSRCCJSCWIXRKR-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxythiophen-2-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10857 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11585 156.7
[M+Na]+ 268.09779 164.2
[M+NH4]+ 263.14239 163.6
[M+K]+ 284.07173 160.2
[M-H]- 244.10129 156.9
[M+Na-2H]- 266.08324 158.6
[M]+ 245.10802 157.9
[M]- 245.10912 157.9
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.