CID 362093

Nuphacristine

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

C1CC(N2C=C(CCC2C1CO)C=O)C3=COC=C3

InChI

InChI=1S/C15H19NO3/c17-8-11-1-3-14-12(9-18)2-4-15(16(14)7-11)13-5-6-19-10-13/h5-8,10,12,14-15,18H,1-4,9H2

InChIKey

MBJDYNFDJNNEHX-UHFFFAOYSA-N

Compound name

6-(furan-3-yl)-9-(hydroxymethyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.1365 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.143776	159.7
[M+Na]+	284.125718	165.6
[M-H]-	260.129224	164.5
[M+NH4]+	279.170323	175.7
[M+K]+	300.099658	162.7
[M+H-H2O]+	244.133760	152.4
[M+HCOO]-	306.134701	175.6
[M+CH3COO]-	320.150351	193.0
[M+Na-2H]-	282.111166	161.8
[M]+	261.13595142	157.0
[M]-	261.13704858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.