CID 7534

Eucatropine

Structural Information

Molecular Formula

C₁₇H₂₅NO₃

SMILES

CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O

InChI

InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3

InChIKey

QSAVEGSLJISCDF-UHFFFAOYSA-N

Compound name

(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 29
References: 2994
Patents: 291.18344 Da
Monoisotopic Mass: 2.8
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]+	292.190716	169.7
[M+Na]+	314.172658	174.9
[M-H]-	290.176164	173.2
[M+NH4]+	309.217263	185.2
[M+K]+	330.146598	172.5
[M+H-H2O]+	274.180700	162.5
[M+HCOO]-	336.181641	184.7
[M+CH3COO]-	350.197291	201.6
[M+Na-2H]-	312.158106	169.6
[M]+	291.18289142	168.1
[M]-	291.18398858	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe