CID 71743121

1421372-18-0

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CCCC12CNC2

InChI

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

InChIKey

GMRSNDRXDYVEAG-UHFFFAOYSA-N

Compound name

5-methyl-2,5-diazaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 126.1157 Da
Monoisotopic Mass: 0.0
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]+	127.12298	125.4
[M+Na]+	149.10492	131.1
[M-H]-	125.10842	126.8
[M+NH4]+	144.14952	141.8
[M+K]+	165.07886	132.1
[M+H-H2O]+	109.11296	115.0
[M+HCOO]-	171.11390	142.8
[M+CH3COO]-	185.12955	170.8
[M+Na-2H]-	147.09037	130.9
[M]+	126.11515	128.5
[M]-	126.11625	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe