CID 60024

M-anisidine, 4-(4-pentenyloxy)-, hydrobromide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=C(C=CC(=C1)N)OCCCC=C

InChI

InChI=1S/C12H17NO2/c1-3-4-5-8-15-11-7-6-10(13)9-12(11)14-2/h3,6-7,9H,1,4-5,8,13H2,2H3

InChIKey

OOVMOWRWBFGHHI-UHFFFAOYSA-N

Compound name

3-methoxy-4-pent-4-enoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.12593 Da
Monoisotopic Mass: 2.6
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	147.0
[M+Na]+	230.11515	158.7
[M+NH4]+	225.15975	154.7
[M+K]+	246.08909	151.8
[M-H]-	206.11865	149.2
[M+Na-2H]-	228.10060	152.8
[M]+	207.12538	149.1
[M]-	207.12648	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe