CID 706524

28081-52-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O

InChI

InChI=1S/C11H10N2O3/c1-13-11(16)8-5-3-2-4-7(8)9(12-13)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

FJIQQZXHNOTAEI-UHFFFAOYSA-N

Compound name

2-(3-methyl-4-oxophthalazin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 218.06914 Da
Monoisotopic Mass: 0.9
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]+	219.07642	145.4
[M+Na]+	241.05836	159.4
[M+NH4]+	236.10296	152.1
[M+K]+	257.03230	153.8
[M-H]-	217.06186	145.6
[M+Na-2H]-	239.04381	151.0
[M]+	218.06859	147.3
[M]-	218.06969	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe