CID 65069335

2375267-56-2

Structural Information

Molecular Formula

C₁₈H₁₉NO₂

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H19NO2/c20-17(21)11-14-12-19(13-14)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,20,21)

InChIKey

VVSNSDCDDYYSOI-UHFFFAOYSA-N

Compound name

2-(1-benzhydrylazetidin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 281.14157 Da
Monoisotopic Mass: 0.7
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]+	282.148846	164.8
[M+Na]+	304.130788	168.2
[M-H]-	280.134294	170.6
[M+NH4]+	299.175393	171.3
[M+K]+	320.104728	167.2
[M+H-H2O]+	264.138830	150.3
[M+HCOO]-	326.139771	181.8
[M+CH3COO]-	340.155421	201.3
[M+Na-2H]-	302.116236	166.8
[M]+	281.14102142	170.8
[M]-	281.14211858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe