CID 7711

Phenethyl formate

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1=CC=C(C=C1)CCOC=O

InChI

InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey

IKDIJXDZEYHZSD-UHFFFAOYSA-N

Compound name

2-phenylethyl formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 8230
Patents: 150.06808 Da
Monoisotopic Mass: 2.1
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]+	151.07536	130.0
[M+Na]+	173.05730	143.1
[M+NH4]+	168.10190	138.8
[M+K]+	189.03124	135.9
[M-H]-	149.06080	132.2
[M+Na-2H]-	171.04275	137.8
[M]+	150.06753	132.4
[M]-	150.06863	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe