CID 41049

Meptazinol

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3

InChIKey

JLICHNCFTLFZJN-UHFFFAOYSA-N

Compound name

3-(3-ethyl-1-methylazepan-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 224
References: 10416
Patents: 233.17796 Da
Monoisotopic Mass: 3.4
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]+	234.185236	153.5
[M+Na]+	256.167178	157.4
[M-H]-	232.170684	157.9
[M+NH4]+	251.211783	170.1
[M+K]+	272.141118	157.9
[M+H-H2O]+	216.175220	146.6
[M+HCOO]-	278.176161	170.1
[M+CH3COO]-	292.191811	191.2
[M+Na-2H]-	254.152626	156.8
[M]+	233.17741142	146.8
[M]-	233.17850858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe