CID 57963913

1195064-96-0

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CC(C)N1C2CCC1CNC2

InChI

InChI=1S/C9H18N2/c1-7(2)11-8-3-4-9(11)6-10-5-8/h7-10H,3-6H2,1-2H3

InChIKey

MTHMEROBAPUNDR-UHFFFAOYSA-N

Compound name

8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 154.147 Da
Monoisotopic Mass: 1.0
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]+	155.15428	138.0
[M+Na]+	177.13622	143.3
[M-H]-	153.13972	135.9
[M+NH4]+	172.18082	159.1
[M+K]+	193.11016	141.0
[M+H-H2O]+	137.14426	131.7
[M+HCOO]-	199.14520	152.0
[M+CH3COO]-	213.16085	176.1
[M+Na-2H]-	175.12167	141.1
[M]+	154.14645	132.5
[M]-	154.14755	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe