CID 15338006

4,7-diazaspiro[2.5]octane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1CC12CNCCN2

InChI

InChI=1S/C6H12N2/c1-2-6(1)5-7-3-4-8-6/h7-8H,1-5H2

InChIKey

RLPYXXBIHMUZRE-UHFFFAOYSA-N

Compound name

4,7-diazaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 813
Patents: 112.10005 Da
Monoisotopic Mass: -0.5
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]+	113.107326	130.9
[M+Na]+	135.089268	138.3
[M-H]-	111.092774	131.5
[M+NH4]+	130.133873	146.6
[M+K]+	151.063208	135.6
[M+H-H2O]+	95.097310	124.4
[M+HCOO]-	157.098251	146.8
[M+CH3COO]-	171.113901	142.0
[M+Na-2H]-	133.074716	138.7
[M]+	112.09950142	124.8
[M]-	112.10059858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe