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 147.7
[M+Na]+ 218.09739 156.9
[M-H]- 194.10089 147.6
[M+NH4]+ 213.14199 167.4
[M+K]+ 234.07133 151.3
[M+H-H2O]+ 178.10543 136.5
[M+HCOO]- 240.10637 157.0
[M+CH3COO]- 254.12202 186.9
[M+Na-2H]- 216.08284 147.7
[M]+ 195.10762 141.3
[M]- 195.10872 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.