CID 16227252

923247-91-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)CC(=O)O

InChI

InChI=1S/C12H12N2O4/c15-6-5-14-12(18)9-4-2-1-3-8(9)10(13-14)7-11(16)17/h1-4,15H,5-7H2,(H,16,17)

InChIKey

GFXRQJWQOBKJIJ-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethyl)-4-oxophthalazin-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.07971 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]+	249.086986	152.4
[M+Na]+	271.068928	161.8
[M-H]-	247.072434	152.1
[M+NH4]+	266.113533	166.9
[M+K]+	287.042868	157.9
[M+H-H2O]+	231.076970	145.0
[M+HCOO]-	293.077911	170.3
[M+CH3COO]-	307.093561	189.4
[M+Na-2H]-	269.054376	158.2
[M]+	248.07916142	154.4
[M]-	248.08025858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.