CID 33787172

1092280-50-6

Structural Information

Molecular Formula

C₁₀H₉NO₅

SMILES

C=CCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H9NO5/c1-2-5-16-7-3-4-9(11(14)15)8(6-7)10(12)13/h2-4,6H,1,5H2,(H,12,13)

InChIKey

NTLYYFTYFANACZ-UHFFFAOYSA-N

Compound name

2-nitro-5-prop-2-enoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.04807 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]+	224.05535	144.8
[M+Na]+	246.03729	156.6
[M+NH4]+	241.08189	150.9
[M+K]+	262.01123	154.8
[M-H]-	222.04079	145.9
[M+Na-2H]-	244.02274	149.1
[M]+	223.04752	146.4
[M]-	223.04862	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe