CID 21138914

3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN1CC2CC(C1)N2

InChI

InChI=1S/C6H12N2/c1-8-3-5-2-6(4-8)7-5/h5-7H,2-4H2,1H3

InChIKey

PWOVIVDQSUNZNN-UHFFFAOYSA-N

Compound name

3-methyl-3,6-diazabicyclo[3.1.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 112.10005 Da
Monoisotopic Mass: -0.1
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	117.7
[M+Na]+	135.08927	124.0
[M+NH4]+	130.13387	124.2
[M+K]+	151.06321	119.9
[M-H]-	111.09277	112.9
[M+Na-2H]-	133.07472	115.2
[M]+	112.09950	115.9
[M]-	112.10060	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe