CID 59648

N-butil-3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

CCCCN1CC2CCCC(C2)C1

InChI

InChI=1S/C12H23N/c1-2-3-7-13-9-11-5-4-6-12(8-11)10-13/h11-12H,2-10H2,1H3

InChIKey

XNLLZKONXOXNQB-UHFFFAOYSA-N

Compound name

3-butyl-3-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.18304 Da
Monoisotopic Mass: 3.2
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]+	182.190316	144.8
[M+Na]+	204.172258	148.4
[M-H]-	180.175764	144.7
[M+NH4]+	199.216863	165.0
[M+K]+	220.146198	145.9
[M+H-H2O]+	164.180300	138.1
[M+HCOO]-	226.181241	159.4
[M+CH3COO]-	240.196891	184.6
[M+Na-2H]-	202.157706	149.7
[M]+	181.18249142	140.1
[M]-	181.18358858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe