CID 72207850

1392804-87-3

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1COC2(O1)CC(C2)CN

InChI

InChI=1S/C7H13NO2/c8-5-6-3-7(4-6)9-1-2-10-7/h6H,1-5,8H2

InChIKey

LMLIBJBAFGAYBP-UHFFFAOYSA-N

Compound name

5,8-dioxaspiro[3.4]octan-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.09464 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]+	144.10192	128.9
[M+Na]+	166.08386	133.4
[M+NH4]+	161.12846	135.0
[M+K]+	182.05780	131.3
[M-H]-	142.08736	130.7
[M+Na-2H]-	164.06931	131.3
[M]+	143.09409	128.8
[M]-	143.09519	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe