CID 61746

Alpha-terpinyl anthranilate

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CC1=CCC(CC1)C(C)(C)OC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C17H23NO2/c1-12-8-10-13(11-9-12)17(2,3)20-16(19)14-6-4-5-7-15(14)18/h4-8,13H,9-11,18H2,1-3H3

InChIKey

UHUIKPAIJHOKNF-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 122
Patents: 273.17288 Da
Monoisotopic Mass: 3.9
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]+	274.18016	165.8
[M+Na]+	296.16210	170.4
[M-H]-	272.16560	171.4
[M+NH4]+	291.20670	181.4
[M+K]+	312.13604	167.5
[M+H-H2O]+	256.17014	158.5
[M+HCOO]-	318.17108	184.7
[M+CH3COO]-	332.18673	202.1
[M+Na-2H]-	294.14755	167.8
[M]+	273.17233	163.1
[M]-	273.17343	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe