CID 24699884

640767-91-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=C(C=C1)N)OCC2CCCO2

InChI

InChI=1S/C12H17NO2/c1-9-4-5-11(13)12(7-9)15-8-10-3-2-6-14-10/h4-5,7,10H,2-3,6,8,13H2,1H3

InChIKey

UIGLNHKUZFXTLT-UHFFFAOYSA-N

Compound name

4-methyl-2-(oxolan-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 207.12593 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]+	208.13321	146.1
[M+Na]+	230.11515	152.5
[M-H]-	206.11865	152.9
[M+NH4]+	225.15975	165.1
[M+K]+	246.08909	151.2
[M+H-H2O]+	190.12319	139.7
[M+HCOO]-	252.12413	169.0
[M+CH3COO]-	266.13978	187.1
[M+Na-2H]-	228.10060	149.7
[M]+	207.12538	145.0
[M]-	207.12648	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe