CID 97616632

2445478-10-2

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1C(CC12CNC2)C3=CC=CC=C3

InChI

InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-6-12(7-11)8-13-9-12/h1-5,11,13H,6-9H2

InChIKey

BXMJOTVWOWIIOR-UHFFFAOYSA-N

Compound name

6-phenyl-2-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 173.12045 Da
Monoisotopic Mass: 1.9
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]+	174.12773	129.2
[M+Na]+	196.10967	134.1
[M-H]-	172.11317	134.7
[M+NH4]+	191.15427	136.6
[M+K]+	212.08361	136.1
[M+H-H2O]+	156.11771	114.6
[M+HCOO]-	218.11865	146.0
[M+CH3COO]-	232.13430	189.8
[M+Na-2H]-	194.09512	136.4
[M]+	173.11990	141.2
[M]-	173.12100	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe