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]+ 214.089626 146.3
[M+Na]+ 236.071568 150.9
[M-H]- 212.075074 148.9
[M+NH4]+ 231.116173 162.8
[M+K]+ 252.045508 148.8
[M+H-H2O]+ 196.079610 140.1
[M+HCOO]- 258.080551 157.9
[M+CH3COO]- 272.096201 157.0
[M+Na-2H]- 234.057016 146.7
[M]+ 213.08180142 142.6
[M]- 213.08289858 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.