CID 6434859

Azocinium, heptahydro-1-(5-heptahydroazocino-2,4-pentadienylidene)-, chloride, hydrate

Structural Information

Molecular Formula
C19H33N2
SMILES
C1CCCN(CCC1)/C=C/C=C/C=[N+]2CCCCCCC2
InChI
InChI=1S/C19H33N2/c1-3-8-14-20(15-9-4-1)18-12-7-13-19-21-16-10-5-2-6-11-17-21/h7,12-13,18-19H,1-6,8-11,14-17H2/q+1
InChIKey
MVIWCBMNTYZOQB-UHFFFAOYSA-N
Compound name
1-[(1E,3E)-5-(azocan-1-ium-1-ylidene)penta-1,3-dienyl]azocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.26437 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.27165 124.6
[M+Na]+ 312.25359 125.5
[M-H]- 288.25709 124.9
[M+NH4]+ 307.29819 125.3
[M+K]+ 328.22753 125.7
[M+H-H2O]+ 272.26163 123.8
[M+HCOO]- 334.26257 125.2
[M+CH3COO]- 348.27822 251.9
[M+Na-2H]- 310.23904 124.0
[M]+ 289.26382 124.3
[M]- 289.26492 124.3
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.