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 156.5
[M+Na]+ 268.09779 162.7
[M-H]- 244.10129 159.0
[M+NH4]+ 263.14239 175.5
[M+K]+ 284.07173 161.1
[M+H-H2O]+ 228.10583 150.6
[M+HCOO]- 290.10677 173.7
[M+CH3COO]- 304.12242 193.6
[M+Na-2H]- 266.08324 154.7
[M]+ 245.10802 161.2
[M]- 245.10912 161.2
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.