CID 142391

4-heptyloxyaniline

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCCCCCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3

InChIKey

LTGYTOOKQWFTQG-UHFFFAOYSA-N

Compound name

4-heptoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 207.16231 Da
Monoisotopic Mass: 4.2
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]+	208.16959	149.5
[M+Na]+	230.15153	161.0
[M+NH4]+	225.19613	157.8
[M+K]+	246.12547	153.3
[M-H]-	206.15503	152.4
[M+Na-2H]-	228.13698	155.8
[M]+	207.16176	151.8
[M]-	207.16286	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe