CID 60212

108098-38-0

Structural Information

Molecular Formula

C₁₇H₂₉NO

SMILES

CCCCCCCCCCNCC1=CC=CC=C1O

InChI

InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-11-14-18-15-16-12-9-10-13-17(16)19/h9-10,12-13,18-19H,2-8,11,14-15H2,1H3

InChIKey

JGXUWMTXFIOODY-UHFFFAOYSA-N

Compound name

2-[(decylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 263.2249 Da
Monoisotopic Mass: 6.0
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]+	264.232176	167.7
[M+Na]+	286.214118	171.2
[M-H]-	262.217624	168.5
[M+NH4]+	281.258723	183.6
[M+K]+	302.188058	166.9
[M+H-H2O]+	246.222160	160.4
[M+HCOO]-	308.223101	189.3
[M+CH3COO]-	322.238751	200.9
[M+Na-2H]-	284.199566	170.7
[M]+	263.22435142	169.7
[M]-	263.22544858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe