CID 139026731

(2r)-4-(but-3-yn-1-yl)-2-methylthiomorpholine

Structural Information

Molecular Formula
C9H15NS
SMILES
C[C@@H]1CN(CCS1)CCC#C
InChI
InChI=1S/C9H15NS/c1-3-4-5-10-6-7-11-9(2)8-10/h1,9H,4-8H2,2H3/t9-/m1/s1
InChIKey
DZNKJGZZGXOSLC-SECBINFHSA-N
Compound name
(2R)-4-but-3-ynyl-2-methylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 135.5
[M+Na]+ 192.081728 144.1
[M-H]- 168.085234 136.6
[M+NH4]+ 187.126333 153.4
[M+K]+ 208.055668 140.8
[M+H-H2O]+ 152.089770 123.8
[M+HCOO]- 214.090711 144.6
[M+CH3COO]- 228.106361 186.9
[M+Na-2H]- 190.067176 136.7
[M]+ 169.09196142 128.9
[M]- 169.09305858 128.9
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.