CID 71755618

2-(morpholin-3-yl)-1-(thiophen-2-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1COCC(N1)CC(=O)C2=CC=CS2
InChI
InChI=1S/C10H13NO2S/c12-9(10-2-1-5-14-10)6-8-7-13-4-3-11-8/h1-2,5,8,11H,3-4,6-7H2
InChIKey
WCTHKLKZKKEHEP-UHFFFAOYSA-N
Compound name
2-morpholin-3-yl-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 145.7
[M+Na]+ 234.05592 151.1
[M-H]- 210.05942 149.7
[M+NH4]+ 229.10052 162.9
[M+K]+ 250.02986 149.2
[M+H-H2O]+ 194.06396 139.3
[M+HCOO]- 256.06490 159.0
[M+CH3COO]- 270.08055 178.9
[M+Na-2H]- 232.04137 146.4
[M]+ 211.06615 143.1
[M]- 211.06725 143.1
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

No patent data available for this compound.