CID 79551016

2225136-59-2

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1CC2CC1CC2CC3CNC3

InChI

InChI=1S/C11H19N/c1-2-10-3-8(1)4-11(10)5-9-6-12-7-9/h8-12H,1-7H2

InChIKey

AWSHQHACXDTKOB-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.15175 Da
Monoisotopic Mass: 2.7
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]+	166.159026	135.6
[M+Na]+	188.140968	139.6
[M-H]-	164.144474	138.5
[M+NH4]+	183.185573	152.7
[M+K]+	204.114908	139.4
[M+H-H2O]+	148.149010	125.8
[M+HCOO]-	210.149951	152.1
[M+CH3COO]-	224.165601	180.5
[M+Na-2H]-	186.126416	137.4
[M]+	165.15120142	139.2
[M]-	165.15229858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.