CID 154417

Hyoscyamine

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1

InChIKey

RKUNBYITZUJHSG-VFSICIBPSA-N

Compound name

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 31413
References: 85648
Patents: 289.1678 Da
Monoisotopic Mass: 1.8
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]+	290.17508	168.9
[M+Na]+	312.15702	178.2
[M+NH4]+	307.20162	176.5
[M+K]+	328.13096	174.4
[M-H]-	288.16052	170.0
[M+Na-2H]-	310.14247	171.0
[M]+	289.16725	170.2
[M]-	289.16835	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe