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]+ 182.09979 144.1
[M+Na]+ 204.08173 153.6
[M-H]- 180.08523 144.1
[M+NH4]+ 199.12633 164.2
[M+K]+ 220.05567 148.3
[M+H-H2O]+ 164.08977 133.0
[M+HCOO]- 226.09071 153.7
[M+CH3COO]- 240.10636 184.2
[M+Na-2H]- 202.06718 144.5
[M]+ 181.09196 137.4
[M]- 181.09306 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.