CID 4655016

934022-80-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C1CCC(CC1)N=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO2/c1-2-4-12(5-3-1)15-9-11-6-7-13-14(8-11)17-10-16-13/h6-9,12H,1-5,10H2

InChIKey

VLRUOGHIEVUWEB-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-cyclohexylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 231.12593 Da
Monoisotopic Mass: 2.9
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]+	232.13321	150.8
[M+Na]+	254.11515	155.7
[M-H]-	230.11865	159.8
[M+NH4]+	249.15975	168.7
[M+K]+	270.08909	155.1
[M+H-H2O]+	214.12319	143.8
[M+HCOO]-	276.12413	171.3
[M+CH3COO]-	290.13978	163.2
[M+Na-2H]-	252.10060	156.9
[M]+	231.12538	148.5
[M]-	231.12648	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe