CID 71756121

2728760-04-9

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC1(CC2(C1)CNC2)OC

InChI

InChI=1S/C8H15NO2/c1-10-8(11-2)3-7(4-8)5-9-6-7/h9H,3-6H2,1-2H3

InChIKey

ZPYMJVKELDTLOM-UHFFFAOYSA-N

Compound name

6,6-dimethoxy-2-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 157.11028 Da
Monoisotopic Mass: -0.1
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]+	158.117556	129.2
[M+Na]+	180.099498	134.0
[M-H]-	156.103004	132.4
[M+NH4]+	175.144103	138.9
[M+K]+	196.073438	138.4
[M+H-H2O]+	140.107540	117.3
[M+HCOO]-	202.108481	145.7
[M+CH3COO]-	216.124131	186.4
[M+Na-2H]-	178.084946	136.5
[M]+	157.10973142	144.8
[M]-	157.11082858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe