CID 6452134

Isononyl anthranilate

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CC(C)CCCCCCOC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C16H25NO2/c1-13(2)9-5-3-4-8-12-19-16(18)14-10-6-7-11-15(14)17/h6-7,10-11,13H,3-5,8-9,12,17H2,1-2H3

InChIKey

QVRHULGJFPSMPU-UHFFFAOYSA-N

Compound name

7-methyloctyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 263.18854 Da
Monoisotopic Mass: 5.9
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]+	264.195816	166.9
[M+Na]+	286.177758	171.1
[M-H]-	262.181264	169.1
[M+NH4]+	281.222363	183.1
[M+K]+	302.151698	168.5
[M+H-H2O]+	246.185800	159.7
[M+HCOO]-	308.186741	188.2
[M+CH3COO]-	322.202391	202.0
[M+Na-2H]-	284.163206	167.3
[M]+	263.18799142	168.8
[M]-	263.18908858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe