CID 5354204

5395-47-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C/C(=C/C1=CC(=C(C=C1)O)OC)/[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-6,12H,1-2H3/b7-5-

InChIKey

FDLWTEUMNRJFCS-ALCCZGGFSA-N

Compound name

2-methoxy-4-[(Z)-2-nitroprop-1-enyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.0688 Da
Monoisotopic Mass: 2.3
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]+	210.07608	142.8
[M+Na]+	232.05802	155.2
[M+NH4]+	227.10262	149.8
[M+K]+	248.03196	152.8
[M-H]-	208.06152	144.7
[M+Na-2H]-	230.04347	147.7
[M]+	209.06825	144.8
[M]-	209.06935	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe