CID 201812

Beta-erythroidinol

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CO[C@@H]1CC23C(=CCN2CCC(=C3CCO)CO)C=C1

InChI

InChI=1S/C16H23NO3/c1-20-14-3-2-13-5-8-17-7-4-12(11-19)15(6-9-18)16(13,17)10-14/h2-3,5,14,18-19H,4,6-11H2,1H3/t14-,16?/m0/s1

InChIKey

MYDVWTSIOHNXED-LBAUFKAWSA-N

Compound name

2-[(10R)-2-(hydroxymethyl)-10-methoxy-4,6,10,11-tetrahydro-3H-pyrido[2,1-i]indol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: -0.8
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]+	278.175076	166.2
[M+Na]+	300.157018	172.5
[M-H]-	276.160524	167.6
[M+NH4]+	295.201623	185.3
[M+K]+	316.130958	168.1
[M+H-H2O]+	260.165060	159.6
[M+HCOO]-	322.166001	180.9
[M+CH3COO]-	336.181651	195.1
[M+Na-2H]-	298.142466	168.9
[M]+	277.16725142	165.1
[M]-	277.16834858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.