CID 10424253

Norscopolamine

Structural Information

Molecular Formula

C₁₆H₁₉NO₄

SMILES

C1C(CC2C3C(C1N2)O3)OC(=O)C(CO)C4=CC=CC=C4

InChI

InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2

InChIKey

MOYZEMOPQDTDHA-UHFFFAOYSA-N

Compound name

3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 441
Patents: 289.1314 Da
Monoisotopic Mass: 0.9
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]+	290.13868	163.9
[M+Na]+	312.12062	170.8
[M-H]-	288.12412	167.4
[M+NH4]+	307.16522	174.8
[M+K]+	328.09456	166.7
[M+H-H2O]+	272.12866	157.7
[M+HCOO]-	334.12960	175.7
[M+CH3COO]-	348.14525	173.3
[M+Na-2H]-	310.10607	166.7
[M]+	289.13085	165.5
[M]-	289.13195	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe