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 146.9
[M+Na]+ 220.11305 152.9
[M-H]- 196.11655 146.9
[M+NH4]+ 215.15765 168.5
[M+K]+ 236.08699 148.6
[M+H-H2O]+ 180.12109 141.6
[M+HCOO]- 242.12203 161.0
[M+CH3COO]- 256.13768 179.3
[M+Na-2H]- 218.09850 147.1
[M]+ 197.12328 145.2
[M]- 197.12438 145.2
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.