CID 20522183

4-azaspiro[2.5]octane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCNC2(C1)CC2

InChI

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

InChIKey

HVFHYYCWZWCTMW-UHFFFAOYSA-N

Compound name

4-azaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 642
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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]+	112.112076	127.9
[M+Na]+	134.094018	135.2
[M-H]-	110.097524	131.3
[M+NH4]+	129.138623	145.7
[M+K]+	150.067958	133.6
[M+H-H2O]+	94.102060	121.9
[M+HCOO]-	156.103001	146.2
[M+CH3COO]-	170.118651	140.2
[M+Na-2H]-	132.079466	136.0
[M]+	111.10425142	123.4
[M]-	111.10534858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe