CID 44182350

1965309-95-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

C1CNCCC12CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-11-14(12-16)6-8-15-9-7-14/h1-5,15H,6-12H2

InChIKey

JMPAPQYBLUHNQT-UHFFFAOYSA-N

Compound name

2-benzyl-2,7-diazaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.16264 Da
Monoisotopic Mass: 1.7
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]+	217.16992	148.7
[M+Na]+	239.15186	152.4
[M-H]-	215.15536	151.9
[M+NH4]+	234.19646	159.2
[M+K]+	255.12580	151.0
[M+H-H2O]+	199.15990	135.2
[M+HCOO]-	261.16084	163.2
[M+CH3COO]-	275.17649	158.4
[M+Na-2H]-	237.13731	154.5
[M]+	216.16209	149.7
[M]-	216.16319	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe