CID 6447470

Brn 5502068

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]+ 196.11545 140.7
[M+Na]+ 218.09739 149.7
[M+NH4]+ 213.14199 146.7
[M+K]+ 234.07133 138.4
[M-H]- 194.10089 133.3
[M+Na-2H]- 216.08284 142.5
[M]+ 195.10762 139.4
[M]- 195.10872 139.4
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.