CID 86940

17084-40-1

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1CCC(CC1)N=CC2=CC=CC=C2O

InChI

InChI=1S/C13H17NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h4-6,9-10,12,15H,1-3,7-8H2

InChIKey

QLWOGCDDZGSXDU-UHFFFAOYSA-N

Compound name

2-(cyclohexyliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 203.13101 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]+	204.13829	147.4
[M+Na]+	226.12023	159.6
[M+NH4]+	221.16483	156.8
[M+K]+	242.09417	151.6
[M-H]-	202.12373	152.6
[M+Na-2H]-	224.10568	155.7
[M]+	203.13046	150.5
[M]-	203.13156	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe