CID 22417185

5-azaspiro[2.5]octane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2(CC2)CNC1

InChI

InChI=1S/C7H13N/c1-2-7(3-4-7)6-8-5-1/h8H,1-6H2

InChIKey

UNOMGZZFCMNBCN-UHFFFAOYSA-N

Compound name

5-azaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 892
Patents: 111.1048 Da
Monoisotopic Mass: 0.9
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]+	112.11208	127.9
[M+Na]+	134.09402	135.2
[M-H]-	110.09752	131.3
[M+NH4]+	129.13862	145.7
[M+K]+	150.06796	133.6
[M+H-H2O]+	94.102060	121.9
[M+HCOO]-	156.10300	146.2
[M+CH3COO]-	170.11865	140.2
[M+Na-2H]-	132.07947	136.0
[M]+	111.10425	123.4
[M]-	111.10535	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe