CID 12691883

2,7-diaza-spiro[4.4]nonane

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CNCC12CCNC2

InChI

InChI=1S/C7H14N2/c1-3-8-5-7(1)2-4-9-6-7/h8-9H,1-6H2

InChIKey

DDVRNOMZDQTUNS-UHFFFAOYSA-N

Compound name

2,7-diazaspiro[4.4]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2455
Patents: 126.1157 Da
Monoisotopic Mass: -0.3
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	130.3
[M+Na]+	149.10492	135.4
[M-H]-	125.10842	129.7
[M+NH4]+	144.14952	153.4
[M+K]+	165.07886	132.9
[M+H-H2O]+	109.11296	123.6
[M+HCOO]-	171.11390	147.0
[M+CH3COO]-	185.12955	141.8
[M+Na-2H]-	147.09037	133.8
[M]+	126.11515	120.6
[M]-	126.11625	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe