CID 9576792

2-(1-phthalazinylhydrazono)propanoic acid

Structural Information

Molecular Formula
C11H10N4O2
SMILES
C/C(=N\NC1=NN=CC2=CC=CC=C21)/C(=O)O
InChI
InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+
InChIKey
CXGHHASVNBBLOU-NTUHNPAUSA-N
Compound name
(2E)-2-(phthalazin-1-ylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

230.08037 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 148.0
[M+Na]+ 253.06959 155.1
[M-H]- 229.07309 150.0
[M+NH4]+ 248.11419 163.4
[M+K]+ 269.04353 152.4
[M+H-H2O]+ 213.07763 139.6
[M+HCOO]- 275.07857 170.1
[M+CH3COO]- 289.09422 194.8
[M+Na-2H]- 251.05504 156.6
[M]+ 230.07982 147.6
[M]- 230.08092 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.