CID 6447470

Thiazolidine, 2-(hept-3-en-6-ynyl)-2-methyl-, (e)-

Structural Information

Molecular Formula
C11H17NS
SMILES
CC1(NCCS1)CC/C=C/CC#C
InChI
InChI=1S/C11H17NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h1,5-6,12H,4,7-10H2,2H3/b6-5+
InChIKey
UFWLFKVFTBWEBG-AATRIKPKSA-N
Compound name
2-[(E)-hept-3-en-6-ynyl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.115446 147.7
[M+Na]+ 218.097388 156.9
[M-H]- 194.100894 147.6
[M+NH4]+ 213.141993 167.4
[M+K]+ 234.071328 151.3
[M+H-H2O]+ 178.105430 136.5
[M+HCOO]- 240.106371 157.0
[M+CH3COO]- 254.122021 186.9
[M+Na-2H]- 216.082836 147.7
[M]+ 195.10762142 141.3
[M]- 195.10871858 141.3
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.