CID 6447469

75606-68-7

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]+ 198.131106 146.9
[M+Na]+ 220.113048 152.9
[M-H]- 196.116554 146.9
[M+NH4]+ 215.157653 168.5
[M+K]+ 236.086988 148.6
[M+H-H2O]+ 180.121090 141.6
[M+HCOO]- 242.122031 161.0
[M+CH3COO]- 256.137681 179.3
[M+Na-2H]- 218.098496 147.1
[M]+ 197.12328142 145.2
[M]- 197.12437858 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.