CID 57665736

2,5-diazabicyclo[4.2.0]octane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1CC2C1NCCN2

InChI

InChI=1S/C6H12N2/c1-2-6-5(1)7-3-4-8-6/h5-8H,1-4H2

InChIKey

YHUBPQNUZGPHRQ-UHFFFAOYSA-N

Compound name

2,5-diazabicyclo[4.2.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
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	122.0
[M+Na]+	135.08927	127.8
[M+NH4]+	130.13387	126.9
[M+K]+	151.06321	124.2
[M-H]-	111.09277	119.5
[M+Na-2H]-	133.07472	123.6
[M]+	112.09950	120.6
[M]-	112.10060	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe