CID 3044446

57269-39-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O

SMILES

CC(C)(C)C(=O)N1C2CCC1CN(C2)C

InChI

InChI=1S/C12H22N2O/c1-12(2,3)11(15)14-9-5-6-10(14)8-13(4)7-9/h9-10H,5-8H2,1-4H3

InChIKey

ZABAWUZJJPYGTP-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.17322 Da
Monoisotopic Mass: 1.6
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]+	211.180496	153.7
[M+Na]+	233.162438	159.9
[M-H]-	209.165944	153.4
[M+NH4]+	228.207043	173.8
[M+K]+	249.136378	158.1
[M+H-H2O]+	193.170480	147.9
[M+HCOO]-	255.171421	167.1
[M+CH3COO]-	269.187071	189.1
[M+Na-2H]-	231.147886	156.0
[M]+	210.17267142	151.7
[M]-	210.17376858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe