CID 175127

72727-63-0

Structural Information

Molecular Formula

C₁₉H₂₈O₂

SMILES

C=CCCCCCCCCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-12-15-19(20)21-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2

InChIKey

BXLGKICTKQVKQF-UHFFFAOYSA-N

Compound name

2-phenylethyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 288.20892 Da
Monoisotopic Mass: 6.2
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]+	289.216196	174.7
[M+Na]+	311.198138	178.1
[M-H]-	287.201644	176.4
[M+NH4]+	306.242743	190.1
[M+K]+	327.172078	174.0
[M+H-H2O]+	271.206180	167.0
[M+HCOO]-	333.207121	195.7
[M+CH3COO]-	347.222771	203.9
[M+Na-2H]-	309.183586	176.1
[M]+	288.20837142	179.0
[M]-	288.20946858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe