CID 12435386

66522-61-0

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC1(OCCO1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H15NO2/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5H,6-8,12H2,1H3

InChIKey

FNYJTLDRTBOOGQ-UHFFFAOYSA-N

Compound name

[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 193.11028 Da
Monoisotopic Mass: 0.4
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]+	194.11756	141.8
[M+Na]+	216.09950	153.3
[M+NH4]+	211.14410	151.9
[M+K]+	232.07344	147.7
[M-H]-	192.10300	148.4
[M+Na-2H]-	214.08495	149.3
[M]+	193.10973	145.4
[M]-	193.11083	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe