CID 5373603

3-propylidenephthalide

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC/C=C\1/C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-

InChIKey

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

Compound name

(3Z)-3-propylidene-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1072
Patents: 174.06808 Da
Monoisotopic Mass: 2.6
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]+	175.07536	135.2
[M+Na]+	197.05730	148.2
[M+NH4]+	192.10190	144.4
[M+K]+	213.03124	143.2
[M-H]-	173.06080	138.6
[M+Na-2H]-	195.04275	140.2
[M]+	174.06753	138.0
[M]-	174.06863	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe