CID 15107450

2-methyl-2,6-diazaspiro[3.4]octane

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CC2(C1)CCNC2

InChI

InChI=1S/C7H14N2/c1-9-5-7(6-9)2-3-8-4-7/h8H,2-6H2,1H3

InChIKey

GRXBQONYAKEHDY-UHFFFAOYSA-N

Compound name

2-methyl-2,7-diazaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 340
Patents: 126.1157 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]+	127.122976	125.4
[M+Na]+	149.104918	131.1
[M-H]-	125.108424	126.8
[M+NH4]+	144.149523	141.8
[M+K]+	165.078858	132.1
[M+H-H2O]+	109.112960	115.0
[M+HCOO]-	171.113901	142.8
[M+CH3COO]-	185.129551	170.8
[M+Na-2H]-	147.090366	130.9
[M]+	126.11515142	128.5
[M]-	126.11624858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe