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]+ 198.131106 143.0
[M+Na]+ 220.113048 151.7
[M-H]- 196.116554 144.2
[M+NH4]+ 215.157653 161.7
[M+K]+ 236.086988 147.7
[M+H-H2O]+ 180.121090 131.8
[M+HCOO]- 242.122031 151.5
[M+CH3COO]- 256.137681 191.9
[M+Na-2H]- 218.098496 144.5
[M]+ 197.12328142 137.3
[M]- 197.12437858 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.