CID 9576951

1152-31-4

Structural Information

Molecular Formula
C11H11N3O5
SMILES
C1=CN=CC=C1C(=O)N/N=C(\CCC(=O)O)/C(=O)O
InChI
InChI=1S/C11H11N3O5/c15-9(16)2-1-8(11(18)19)13-14-10(17)7-3-5-12-6-4-7/h3-6H,1-2H2,(H,14,17)(H,15,16)(H,18,19)/b13-8+
InChIKey
CCBSJXHUMYNUKH-MDWZMJQESA-N
Compound name
(2E)-2-(pyridine-4-carbonylhydrazinylidene)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.0699 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07718 156.1
[M+Na]+ 288.05912 160.2
[M-H]- 264.06262 156.7
[M+NH4]+ 283.10372 169.0
[M+K]+ 304.03306 159.3
[M+H-H2O]+ 248.06716 148.1
[M+HCOO]- 310.06810 177.2
[M+CH3COO]- 324.08375 197.0
[M+Na-2H]- 286.04457 158.9
[M]+ 265.06935 155.4
[M]- 265.07045 155.4
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