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

1
Patents

174.08269 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.089966 137.9
[M+Na]+ 197.071908 142.1
[M-H]- 173.075414 138.8
[M+NH4]+ 192.116513 156.4
[M+K]+ 213.045848 140.7
[M+H-H2O]+ 157.079950 131.4
[M+HCOO]- 219.080891 150.9
[M+CH3COO]- 233.096541 179.2
[M+Na-2H]- 195.057356 138.0
[M]+ 174.08214142 133.2
[M]- 174.08323858 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

patents stripe