CID 115873226

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

Structural Information

Molecular Formula
C11H19NS
SMILES
CC1(CN(CCS1)CCCC#C)C
InChI
InChI=1S/C11H19NS/c1-4-5-6-7-12-8-9-13-11(2,3)10-12/h1H,5-10H2,2-3H3
InChIKey
ZABIWEQJLJYRMA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-pent-4-ynylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 143.0
[M+Na]+ 220.11305 151.7
[M-H]- 196.11655 144.2
[M+NH4]+ 215.15765 161.7
[M+K]+ 236.08699 147.7
[M+H-H2O]+ 180.12109 131.8
[M+HCOO]- 242.12203 151.5
[M+CH3COO]- 256.13768 191.9
[M+Na-2H]- 218.09850 144.5
[M]+ 197.12328 137.3
[M]- 197.12438 137.3
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.