CID 115683618

2,2-dimethyl-4-(prop-2-yn-1-yl)thiomorpholine

Structural Information

Molecular Formula
C9H15NS
SMILES
CC1(CN(CCS1)CC#C)C
InChI
InChI=1S/C9H15NS/c1-4-5-10-6-7-11-9(2,3)8-10/h1H,5-8H2,2-3H3
InChIKey
NFQSHZXSTQIBBC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-prop-2-ynylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 135.6
[M+Na]+ 192.081728 145.1
[M-H]- 168.085234 137.1
[M+NH4]+ 187.126333 155.4
[M+K]+ 208.055668 141.5
[M+H-H2O]+ 152.089770 124.7
[M+HCOO]- 214.090711 144.7
[M+CH3COO]- 228.106361 186.5
[M+Na-2H]- 190.067176 137.9
[M]+ 169.09196142 129.3
[M]- 169.09305858 129.3
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.