CID 16770519

1172099-78-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1CC(OC1)COC2=CC=C(C=C2)CN

InChI

InChI=1S/C12H17NO2/c13-8-10-3-5-11(6-4-10)15-9-12-2-1-7-14-12/h3-6,12H,1-2,7-9,13H2

InChIKey

SIONSKXCPDFBFA-UHFFFAOYSA-N

Compound name

[4-(oxolan-2-ylmethoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.12593 Da
Monoisotopic Mass: 1.2
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]+	208.13321	147.1
[M+Na]+	230.11515	157.9
[M+NH4]+	225.15975	155.8
[M+K]+	246.08909	153.4
[M-H]-	206.11865	152.4
[M+Na-2H]-	228.10060	153.2
[M]+	207.12538	150.0
[M]-	207.12648	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe