CID 11094624

1,5-diazabicyclo[4.3.0]nonane

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CC2NCCCN2C1

InChI

InChI=1S/C7H14N2/c1-3-7-8-4-2-6-9(7)5-1/h7-8H,1-6H2

InChIKey

IHGJZNUBLMAEGL-UHFFFAOYSA-N

Compound name

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 304
Patents: 126.1157 Da
Monoisotopic Mass: 0.6
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	128.2
[M+Na]+	149.104918	133.2
[M-H]-	125.108424	127.3
[M+NH4]+	144.149523	149.3
[M+K]+	165.078858	131.1
[M+H-H2O]+	109.112960	121.2
[M+HCOO]-	171.113901	144.1
[M+CH3COO]-	185.129551	139.8
[M+Na-2H]-	147.090366	133.2
[M]+	126.11515142	120.2
[M]-	126.11624858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe