CID 155892615

2,5-dioxaspiro[3.4]octan-7-amine

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C(COC12COC2)N

InChI

InChI=1S/C6H11NO2/c7-5-1-6(9-2-5)3-8-4-6/h5H,1-4,7H2

InChIKey

GKAMDXOUKJIWAV-UHFFFAOYSA-N

Compound name

2,5-dioxaspiro[3.4]octan-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 129.07898 Da
Monoisotopic Mass: -1.2
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]+	130.08626	117.2
[M+Na]+	152.06820	122.3
[M-H]-	128.07170	123.6
[M+NH4]+	147.11280	133.4
[M+K]+	168.04214	127.0
[M+H-H2O]+	112.07624	108.5
[M+HCOO]-	174.07718	137.7
[M+CH3COO]-	188.09283	173.1
[M+Na-2H]-	150.05365	125.6
[M]+	129.07843	123.0
[M]-	129.07953	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe