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]+ 231.087646 148.0
[M+Na]+ 253.069588 155.1
[M-H]- 229.073094 150.0
[M+NH4]+ 248.114193 163.4
[M+K]+ 269.043528 152.4
[M+H-H2O]+ 213.077630 139.6
[M+HCOO]- 275.078571 170.1
[M+CH3COO]- 289.094221 194.8
[M+Na-2H]- 251.055036 156.6
[M]+ 230.07982142 147.6
[M]- 230.08091858 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

literature stripe

Patent stripe

patents stripe