CID 99636982

4-(but-3-yn-1-yl)-2,2-dimethylthiomorpholine

Structural Information

Molecular Formula
C10H17NS
SMILES
CC1(CN(CCS1)CCC#C)C
InChI
InChI=1S/C10H17NS/c1-4-5-6-11-7-8-12-10(2,3)9-11/h1H,5-9H2,2-3H3
InChIKey
XYMYJQKDTALHQR-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2,2-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 139.3
[M+Na]+ 206.09739 148.4
[M-H]- 182.10089 140.6
[M+NH4]+ 201.14199 158.6
[M+K]+ 222.07133 144.6
[M+H-H2O]+ 166.10543 128.3
[M+HCOO]- 228.10637 148.1
[M+CH3COO]- 242.12202 189.2
[M+Na-2H]- 204.08284 141.2
[M]+ 183.10762 133.3
[M]- 183.10872 133.3
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.