CID 43210683

2-amino-1-(thiomorpholin-4-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C7H14N2OS
SMILES
CC(C(=O)N1CCSCC1)N
InChI
InChI=1S/C7H14N2OS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5,8H2,1H3
InChIKey
PSBMXHAXFVRGAN-UHFFFAOYSA-N
Compound name
2-amino-1-thiomorpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08269 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08997 137.9
[M+Na]+ 197.07191 142.1
[M-H]- 173.07541 138.8
[M+NH4]+ 192.11651 156.4
[M+K]+ 213.04585 140.7
[M+H-H2O]+ 157.07995 131.4
[M+HCOO]- 219.08089 150.9
[M+CH3COO]- 233.09654 179.2
[M+Na-2H]- 195.05736 138.0
[M]+ 174.08214 133.2
[M]- 174.08324 133.2
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.