CID 3019629

1-(2-nitrophenyl)ethyl acrylate

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

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

InChI

InChI=1S/C11H11NO4/c1-3-11(13)16-8(2)9-6-4-5-7-10(9)12(14)15/h3-8H,1H2,2H3

InChIKey

RNYPOUOIGJXNMU-UHFFFAOYSA-N

Compound name

1-(2-nitrophenyl)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 221.0688 Da
Monoisotopic Mass: 2.4
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]+	222.076076	146.7
[M+Na]+	244.058018	153.0
[M-H]-	220.061524	150.4
[M+NH4]+	239.102623	164.0
[M+K]+	260.031958	147.7
[M+H-H2O]+	204.066060	145.2
[M+HCOO]-	266.067001	170.6
[M+CH3COO]-	280.082651	182.7
[M+Na-2H]-	242.043466	151.6
[M]+	221.06825142	146.6
[M]-	221.06934858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe