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]+ 212.073976 145.7
[M+Na]+ 234.055918 151.1
[M-H]- 210.059424 149.7
[M+NH4]+ 229.100523 162.9
[M+K]+ 250.029858 149.2
[M+H-H2O]+ 194.063960 139.3
[M+HCOO]- 256.064901 159.0
[M+CH3COO]- 270.080551 178.9
[M+Na-2H]- 232.041366 146.4
[M]+ 211.06615142 143.1
[M]- 211.06724858 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.