CID 71755707

2-(morpholin-3-yl)-1-(thiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H15NO2S
SMILES
C1COCC(N1)CC(C2=CC=CS2)O
InChI
InChI=1S/C10H15NO2S/c12-9(10-2-1-5-14-10)6-8-7-13-4-3-11-8/h1-2,5,8-9,11-12H,3-4,6-7H2
InChIKey
VVTOKYYKQAEMMG-UHFFFAOYSA-N
Compound name
2-morpholin-3-yl-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08235 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 146.3
[M+Na]+ 236.07157 150.9
[M-H]- 212.07507 148.9
[M+NH4]+ 231.11617 162.8
[M+K]+ 252.04551 148.8
[M+H-H2O]+ 196.07961 140.1
[M+HCOO]- 258.08055 157.9
[M+CH3COO]- 272.09620 157.0
[M+Na-2H]- 234.05702 146.7
[M]+ 213.08180 142.6
[M]- 213.08290 142.6
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.