CID 125619

11-apcd

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1C2C3CC4C1C5C2C3C4N5

InChI

InChI=1S/C10H13N/c1-3-4-2-6-5(1)9-7(3)8(4)10(6)11-9/h3-11H,1-2H2

InChIKey

AWGULFDHHFSTLO-UHFFFAOYSA-N

Compound name

4-azapentacyclo[5.4.0.02,6.03,10.05,9]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 147.1048 Da
Monoisotopic Mass: 1.1
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]+	148.11208	134.2
[M+Na]+	170.09402	140.6
[M-H]-	146.09752	136.1
[M+NH4]+	165.13862	159.1
[M+K]+	186.06796	140.0
[M+H-H2O]+	130.10206	128.4
[M+HCOO]-	192.10300	149.0
[M+CH3COO]-	206.11865	146.7
[M+Na-2H]-	168.07947	135.3
[M]+	147.10425	143.8
[M]-	147.10535	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.