CID 15527499

N-decyl-4-methoxyaniline

Structural Information

Molecular Formula

C₁₇H₂₉NO

SMILES

CCCCCCCCCCNC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-15-18-16-11-13-17(19-2)14-12-16/h11-14,18H,3-10,15H2,1-2H3

InChIKey

JJBKULCJBJQXRA-UHFFFAOYSA-N

Compound name

N-decyl-4-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 263.2249 Da
Monoisotopic Mass: 6.4
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]+	264.23218	167.5
[M+Na]+	286.21412	178.5
[M+NH4]+	281.25872	175.3
[M+K]+	302.18806	169.5
[M-H]-	262.21762	170.4
[M+Na-2H]-	284.19957	173.2
[M]+	263.22435	169.8
[M]-	263.22545	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe