CID 57614757

10-undecenyl 2-cyano-3,3-diphenylpropenoate

Structural Information

Molecular Formula

C₂₇H₃₁NO₂

SMILES

C=CCCCCCCCCCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C27H31NO2/c1-2-3-4-5-6-7-8-9-16-21-30-27(29)25(22-28)26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h2,10-15,17-20H,1,3-9,16,21H2

InChIKey

ZMIFHAGGIBCROR-UHFFFAOYSA-N

Compound name

undec-10-enyl 2-cyano-3,3-diphenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 401.23547 Da
Monoisotopic Mass: 8.5
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]+	402.242746	207.6
[M+Na]+	424.224688	211.6
[M-H]-	400.228194	210.4
[M+NH4]+	419.269293	216.2
[M+K]+	440.198628	203.2
[M+H-H2O]+	384.232730	191.4
[M+HCOO]-	446.233671	222.1
[M+CH3COO]-	460.249321	232.2
[M+Na-2H]-	422.210136	204.4
[M]+	401.23492142	204.0
[M]-	401.23601858	204.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe