CID 9570627

Citral thiosemicarbazone

Structural Information

Molecular Formula
C11H19N3S
SMILES
CC(=CCC/C(=C/C=N/NC(=S)N)/C)C
InChI
InChI=1S/C11H19N3S/c1-9(2)5-4-6-10(3)7-8-13-14-11(12)15/h5,7-8H,4,6H2,1-3H3,(H3,12,14,15)/b10-7+,13-8+
InChIKey
OVUJOZUSCSTKGA-OOHIBURESA-N
Compound name
[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

225.12997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.137246 156.5
[M+Na]+ 248.119188 160.0
[M-H]- 224.122694 156.9
[M+NH4]+ 243.163793 174.5
[M+K]+ 264.093128 156.6
[M+H-H2O]+ 208.127230 149.5
[M+HCOO]- 270.128171 174.4
[M+CH3COO]- 284.143821 198.9
[M+Na-2H]- 246.104636 154.3
[M]+ 225.12942142 154.9
[M]- 225.13051858 154.9
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

patents stripe