CID 733989

3695-85-0

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC(=O)C(=CC1=CC=C(C=C1)O)C#N

InChI

InChI=1S/C11H9NO3/c1-15-11(14)9(7-12)6-8-2-4-10(13)5-3-8/h2-6,13H,1H3

InChIKey

SSJMWLROUBFBOB-UHFFFAOYSA-N

Compound name

methyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 118
Patents: 203.05824 Da
Monoisotopic Mass: 1.7
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]+	204.06552	144.8
[M+Na]+	226.04746	155.5
[M+NH4]+	221.09206	148.1
[M+K]+	242.02140	147.6
[M-H]-	202.05096	137.8
[M+Na-2H]-	224.03291	147.2
[M]+	203.05769	143.3
[M]-	203.05879	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe