CID 24510

Cyclohexyl anthranilate

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CCC(CC1)OC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2

InChIKey

KFEZETDKFSMLMG-UHFFFAOYSA-N

Compound name

cyclohexyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 451
Patents: 219.12593 Da
Monoisotopic Mass: 3.7
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]+	220.133206	149.7
[M+Na]+	242.115148	153.7
[M-H]-	218.118654	155.0
[M+NH4]+	237.159753	167.0
[M+K]+	258.089088	151.3
[M+H-H2O]+	202.123190	142.4
[M+HCOO]-	264.124131	170.2
[M+CH3COO]-	278.139781	188.8
[M+Na-2H]-	240.100596	152.7
[M]+	219.12538142	144.3
[M]-	219.12647858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe