CID 192421

Isodecyl 5-hydroxyanthranilate

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

CC(C)CCCCCCCOC(=O)C1=C(C=CC(=C1)O)N

InChI

InChI=1S/C17H27NO3/c1-13(2)8-6-4-3-5-7-11-21-17(20)15-12-14(19)9-10-16(15)18/h9-10,12-13,19H,3-8,11,18H2,1-2H3

InChIKey

WQDDSULPVSBTBO-UHFFFAOYSA-N

Compound name

8-methylnonyl 2-amino-5-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 293.1991 Da
Monoisotopic Mass: 5.5
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]+	294.20638	174.3
[M+Na]+	316.18832	178.4
[M-H]-	292.19182	175.2
[M+NH4]+	311.23292	188.7
[M+K]+	332.16226	175.4
[M+H-H2O]+	276.19636	167.1
[M+HCOO]-	338.19730	193.9
[M+CH3COO]-	352.21295	205.8
[M+Na-2H]-	314.17377	173.0
[M]+	293.19855	176.4
[M]-	293.19965	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe