CID 14342233

50901-54-7

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CN=NC=C1/C=C/C(=O)O

InChI

InChI=1S/C7H6N2O2/c10-7(11)2-1-6-3-4-8-9-5-6/h1-5H,(H,10,11)/b2-1+

InChIKey

MWGDDRISERADCW-OWOJBTEDSA-N

Compound name

(E)-3-pyridazin-4-ylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 150.04292 Da
Monoisotopic Mass: -0.2
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]+	151.050196	128.7
[M+Na]+	173.032138	137.0
[M-H]-	149.035644	128.3
[M+NH4]+	168.076743	146.3
[M+K]+	189.006078	134.6
[M+H-H2O]+	133.040180	121.8
[M+HCOO]-	195.041121	149.7
[M+CH3COO]-	209.056771	170.4
[M+Na-2H]-	171.017586	136.4
[M]+	150.04237142	127.8
[M]-	150.04346858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe