CID 3051626

3-(3-metil-3-metilcarbamilossi)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottano [italian]

Structural Information

Molecular Formula

C₁₆H₂₉N₃O₃

SMILES

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

InChI

InChI=1S/C16H29N3O3/c1-5-14(20)19-12-6-7-13(19)11-18(10-12)9-8-16(2,3)22-15(21)17-4/h12-13H,5-11H2,1-4H3,(H,17,21)

InChIKey

RFEXMWLZMCTKCU-UHFFFAOYSA-N

Compound name

[2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.2209 Da
Monoisotopic Mass: 1.3
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]+	312.228176	179.2
[M+Na]+	334.210118	182.4
[M-H]-	310.213624	178.1
[M+NH4]+	329.254723	194.5
[M+K]+	350.184058	180.9
[M+H-H2O]+	294.218160	172.5
[M+HCOO]-	356.219101	191.8
[M+CH3COO]-	370.234751	209.6
[M+Na-2H]-	332.195566	179.4
[M]+	311.22035142	179.4
[M]-	311.22144858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.