CID 14342232

123530-64-3

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CC(=NN=C1)/C=C/C(=O)O

InChI

InChI=1S/C7H6N2O2/c10-7(11)4-3-6-2-1-5-8-9-6/h1-5H,(H,10,11)/b4-3+

InChIKey

ZPHCAQXHJROIFP-ONEGZZNKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	151.05020	128.7
[M+Na]+	173.03214	137.0
[M-H]-	149.03564	128.3
[M+NH4]+	168.07674	146.3
[M+K]+	189.00608	134.6
[M+H-H2O]+	133.04018	121.8
[M+HCOO]-	195.04112	149.7
[M+CH3COO]-	209.05677	170.4
[M+Na-2H]-	171.01759	136.4
[M]+	150.04237	127.8
[M]-	150.04347	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe