CID 31037

27507-45-5

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

CCC1C2CC3=C(C1(CCN2C)CC)C=C(C=C3)O

InChI

InChI=1S/C17H25NO/c1-4-14-16-10-12-6-7-13(19)11-15(12)17(14,5-2)8-9-18(16)3/h6-7,11,14,16,19H,4-5,8-10H2,1-3H3

InChIKey

JYRBQCWXZNDERM-UHFFFAOYSA-N

Compound name

1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 259.1936 Da
Monoisotopic Mass: 4.1
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]+	260.200876	163.8
[M+Na]+	282.182818	171.0
[M-H]-	258.186324	164.4
[M+NH4]+	277.227423	183.9
[M+K]+	298.156758	166.0
[M+H-H2O]+	242.190860	156.9
[M+HCOO]-	304.191801	176.5
[M+CH3COO]-	318.207451	174.1
[M+Na-2H]-	280.168266	168.6
[M]+	259.19305142	162.0
[M]-	259.19414858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.