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]+ 170.09979 135.6
[M+Na]+ 192.08173 145.1
[M-H]- 168.08523 137.1
[M+NH4]+ 187.12633 155.4
[M+K]+ 208.05567 141.5
[M+H-H2O]+ 152.08977 124.7
[M+HCOO]- 214.09071 144.7
[M+CH3COO]- 228.10636 186.5
[M+Na-2H]- 190.06718 137.9
[M]+ 169.09196 129.3
[M]- 169.09306 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.