CID 102980

Einecs 222-045-7

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

C1CC(NC1)C(=O)NC2=CC3=CC=CC=C3C(=C2)O

InChI

InChI=1S/C15H16N2O2/c18-14-9-11(8-10-4-1-2-5-12(10)14)17-15(19)13-6-3-7-16-13/h1-2,4-5,8-9,13,16,18H,3,6-7H2,(H,17,19)

InChIKey

KMQNGXDZQAILQD-UHFFFAOYSA-N

Compound name

N-(4-hydroxynaphthalen-2-yl)pyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.1212 Da
Monoisotopic Mass: 2.1
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]+	257.128476	157.0
[M+Na]+	279.110418	162.5
[M-H]-	255.113924	160.4
[M+NH4]+	274.155023	173.4
[M+K]+	295.084358	157.4
[M+H-H2O]+	239.118460	149.7
[M+HCOO]-	301.119401	175.2
[M+CH3COO]-	315.135051	167.5
[M+Na-2H]-	277.095866	160.2
[M]+	256.12065142	151.6
[M]-	256.12174858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.