CID 59683689

923982-67-6

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

C1[C@@H]([C@@]1(C#N)C2=CC3=CC=CC=C3C=C2)CO

InChI

InChI=1S/C15H13NO/c16-10-15(8-14(15)9-17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14,17H,8-9H2/t14-,15+/m1/s1

InChIKey

YAOFZMVNNNMQQK-CABCVRRESA-N

Compound name

cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 223.09972 Da
Monoisotopic Mass: 2.4
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]+	224.106996	150.4
[M+Na]+	246.088938	167.6
[M-H]-	222.092444	158.6
[M+NH4]+	241.133543	166.6
[M+K]+	262.062878	157.7
[M+H-H2O]+	206.096980	141.2
[M+HCOO]-	268.097921	170.2
[M+CH3COO]-	282.113571	163.5
[M+Na-2H]-	244.074386	159.0
[M]+	223.09917142	149.6
[M]-	223.10026858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe