CID 3058789

75606-59-6

Structural Information

Molecular Formula
C9H15NS
SMILES
CC1(NCCS1)CCC=C=C
InChI
InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h4,10H,1,5-8H2,2H3
InChIKey
QACMFMCVAMDINW-UHFFFAOYSA-N
Compound name
2-methyl-2-penta-3,4-dienyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 138.4
[M+Na]+ 192.081728 145.2
[M-H]- 168.085234 138.8
[M+NH4]+ 187.126333 161.1
[M+K]+ 208.055668 141.5
[M+H-H2O]+ 152.089770 133.5
[M+HCOO]- 214.090711 153.1
[M+CH3COO]- 228.106361 173.2
[M+Na-2H]- 190.067176 139.5
[M]+ 169.09196142 136.0
[M]- 169.09305858 136.0
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.