CID 3051620

Brn 0525461

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)O

InChI

InChI=1S/C14H26N2O2/c1-4-13(17)16-11-5-6-12(16)10-15(9-11)8-7-14(2,3)18/h11-12,18H,4-10H2,1-3H3

InChIKey

YYJYXCYBSWETTR-UHFFFAOYSA-N

Compound name

1-[3-(3-hydroxy-3-methylbutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.19943 Da
Monoisotopic Mass: 0.9
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]+	255.206706	166.3
[M+Na]+	277.188648	170.9
[M-H]-	253.192154	164.0
[M+NH4]+	272.233253	183.6
[M+K]+	293.162588	168.3
[M+H-H2O]+	237.196690	160.2
[M+HCOO]-	299.197631	177.5
[M+CH3COO]-	313.213281	195.3
[M+Na-2H]-	275.174096	167.2
[M]+	254.19888142	164.6
[M]-	254.19997858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.