CID 12374077

1,4-diazabicyclo[3.2.1]octane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1CN2CCNC1C2

InChI

InChI=1S/C6H12N2/c1-3-8-4-2-7-6(1)5-8/h6-7H,1-5H2

InChIKey

KYCAEEFYFFBAAP-UHFFFAOYSA-N

Compound name

1,4-diazabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 425
Patents: 112.10005 Da
Monoisotopic Mass: -0.2
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]+	113.10733	123.5
[M+Na]+	135.08927	133.2
[M+NH4]+	130.13387	133.0
[M+K]+	151.06321	128.9
[M-H]-	111.09277	123.3
[M+Na-2H]-	133.07472	126.3
[M]+	112.09950	124.5
[M]-	112.10060	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe