CID 59646

N-allil-3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C=CCN1CC2CCCC(C2)C1

InChI

InChI=1S/C11H19N/c1-2-6-12-8-10-4-3-5-11(7-10)9-12/h2,10-11H,1,3-9H2

InChIKey

DSZZMXSVRRXWCV-UHFFFAOYSA-N

Compound name

3-prop-2-enyl-3-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 165.15175 Da
Monoisotopic Mass: 2.6
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]+	166.15903	138.8
[M+Na]+	188.14097	143.1
[M-H]-	164.14447	138.9
[M+NH4]+	183.18557	159.5
[M+K]+	204.11491	140.3
[M+H-H2O]+	148.14901	132.4
[M+HCOO]-	210.14995	154.0
[M+CH3COO]-	224.16560	180.8
[M+Na-2H]-	186.12642	144.3
[M]+	165.15120	133.0
[M]-	165.15230	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe