CID 43027

59436-69-0

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CCOC(=O)N1C2CCC1CN(C2)C

InChI

InChI=1S/C10H18N2O2/c1-3-14-10(13)12-8-4-5-9(12)7-11(2)6-8/h8-9H,3-7H2,1-2H3

InChIKey

KBFADUFECIUFCN-UHFFFAOYSA-N

Compound name

ethyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.13683 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]+	199.144106	146.7
[M+Na]+	221.126048	153.2
[M-H]-	197.129554	146.3
[M+NH4]+	216.170653	167.0
[M+K]+	237.099988	152.0
[M+H-H2O]+	181.134090	140.2
[M+HCOO]-	243.135031	162.5
[M+CH3COO]-	257.150681	184.8
[M+Na-2H]-	219.111496	149.2
[M]+	198.13628142	145.9
[M]-	198.13737858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe