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]+ 170.09979 135.5
[M+Na]+ 192.08173 144.1
[M-H]- 168.08523 136.6
[M+NH4]+ 187.12633 153.4
[M+K]+ 208.05567 140.8
[M+H-H2O]+ 152.08977 123.8
[M+HCOO]- 214.09071 144.6
[M+CH3COO]- 228.10636 186.9
[M+Na-2H]- 190.06718 136.7
[M]+ 169.09196 128.9
[M]- 169.09306 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.