CID 9574231

Inh 4oxopen aci

Structural Information

Molecular Formula
C11H13N3O3
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/CCC(=O)O
InChI
InChI=1S/C11H13N3O3/c1-8(2-3-10(15)16)13-14-11(17)9-4-6-12-7-5-9/h4-7H,2-3H2,1H3,(H,14,17)(H,15,16)/b13-8+
InChIKey
VOXWRPFVWYTAMA-MDWZMJQESA-N
Compound name
(4E)-4-(pyridine-4-carbonylhydrazinylidene)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 152.2
[M+Na]+ 258.08491 157.0
[M-H]- 234.08841 154.1
[M+NH4]+ 253.12951 167.4
[M+K]+ 274.05885 155.7
[M+H-H2O]+ 218.09295 144.2
[M+HCOO]- 280.09389 175.2
[M+CH3COO]- 294.10954 194.8
[M+Na-2H]- 256.07036 156.4
[M]+ 235.09514 151.9
[M]- 235.09624 151.9
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.