CID 3048302

1-(5-(4-hydroxypiperidino)-2,4-pentadienylidene)-4-hydroxypiperidinium chloride dihydrate

Structural Information

Molecular Formula
C15H23N2O2
SMILES
C1CN(CCC1O)C2=CC=CC2=[N+]3CCC(CC3)O
InChI
InChI=1S/C15H23N2O2/c18-12-4-8-16(9-5-12)14-2-1-3-15(14)17-10-6-13(19)7-11-17/h1-3,12-13,18-19H,4-11H2/q+1
InChIKey
RVFMXAIZNPTXIF-UHFFFAOYSA-N
Compound name
1-[5-(4-hydroxypiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17596 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18324 166.4
[M+Na]+ 286.16518 169.5
[M-H]- 262.16868 169.8
[M+NH4]+ 281.20978 179.8
[M+K]+ 302.13912 159.1
[M+H-H2O]+ 246.17322 160.2
[M+HCOO]- 308.17416 178.5
[M+CH3COO]- 322.18981 182.5
[M+Na-2H]- 284.15063 166.9
[M]+ 263.17541 154.7
[M]- 263.17651 154.7
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.