CID 6447469

Brn 5502069

Structural Information

Molecular Formula
C11H19NS
SMILES
CC1(NCCS1)CC/C=C/CC=C
InChI
InChI=1S/C11H19NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3,5-6,12H,1,4,7-10H2,2H3/b6-5+
InChIKey
KRHJFKNMTRVNSR-AATRIKPKSA-N
Compound name
2-[(3E)-hepta-3,6-dienyl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 149.6
[M+Na]+ 220.11305 158.1
[M+NH4]+ 215.15765 159.0
[M+K]+ 236.08699 148.8
[M-H]- 196.11655 149.9
[M+Na-2H]- 218.09850 153.4
[M]+ 197.12328 151.2
[M]- 197.12438 151.2
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.