CID 16641705

927993-47-3

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1=CC=CC=C1C2(CCC2)CN

InChI

InChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3

InChIKey

QYBDUMVPPQVMRK-UHFFFAOYSA-N

Compound name

[1-(2-methoxyphenyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.13829	142.6
[M+Na]+	214.12023	148.1
[M-H]-	190.12373	148.7
[M+NH4]+	209.16483	157.1
[M+K]+	230.09417	148.8
[M+H-H2O]+	174.12827	131.6
[M+HCOO]-	236.12921	165.0
[M+CH3COO]-	250.14486	188.6
[M+Na-2H]-	212.10568	148.3
[M]+	191.13046	149.7
[M]-	191.13156	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe