CID 58414972

2305253-17-0

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1C(CC12CNC2)OCC3=CC=CC=C3

InChI

InChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-15-12-6-13(7-12)9-14-10-13/h1-5,12,14H,6-10H2

InChIKey

DZYPAQIYPIBEFQ-UHFFFAOYSA-N

Compound name

6-phenylmethoxy-2-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 203.13101 Da
Monoisotopic Mass: 1.6
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]+	204.138286	135.9
[M+Na]+	226.120228	140.0
[M-H]-	202.123734	141.1
[M+NH4]+	221.164833	142.0
[M+K]+	242.094168	142.5
[M+H-H2O]+	186.128270	120.8
[M+HCOO]-	248.129211	152.5
[M+CH3COO]-	262.144861	194.2
[M+Na-2H]-	224.105676	142.5
[M]+	203.13046142	149.4
[M]-	203.13155858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe