CID 5372353

Cis-3-hexenyl anthranilate

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC/C=C\CCOC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-

InChIKey

VZWCCPAVZNSCEO-ARJAWSKDSA-N

Compound name

[(Z)-hex-3-enyl] 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 220
Patents: 219.12593 Da
Monoisotopic Mass: 4.0
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]+	220.13321	151.7
[M+Na]+	242.11515	162.5
[M+NH4]+	237.15975	158.8
[M+K]+	258.08909	155.9
[M-H]-	218.11865	153.3
[M+Na-2H]-	240.10060	156.8
[M]+	219.12538	153.4
[M]-	219.12648	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe