CID 6366650

102612-92-0

Structural Information

Molecular Formula
C10H15NS
SMILES
CC1(NCCS1)C/C=C/CC#C
InChI
InChI=1S/C10H15NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,5-6,11H,4,7-9H2,2H3/b6-5+
InChIKey
UZYWGHXCGUVXLH-AATRIKPKSA-N
Compound name
2-[(E)-hex-2-en-5-ynyl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 144.1
[M+Na]+ 204.081728 153.6
[M-H]- 180.085234 144.1
[M+NH4]+ 199.126333 164.2
[M+K]+ 220.055668 148.3
[M+H-H2O]+ 164.089770 133.0
[M+HCOO]- 226.090711 153.7
[M+CH3COO]- 240.106361 184.2
[M+Na-2H]- 202.067176 144.5
[M]+ 181.09196142 137.4
[M]- 181.09305858 137.4
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.