CID 5339382

2-butenedioic acid (z)-, mono((phenylmethylene)hydrazide)

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(6-7-11(15)16)13-12-8-9-4-2-1-3-5-9/h1-8H,(H,13,14)(H,15,16)/b7-6-,12-8+
InChIKey
LYKKLVHFALVLLA-UGLNBITBSA-N
Compound name
(Z)-4-[(2E)-2-benzylidenehydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 146.8
[M+Na]+ 241.05836 152.3
[M-H]- 217.06186 150.1
[M+NH4]+ 236.10296 164.1
[M+K]+ 257.03230 149.9
[M+H-H2O]+ 201.06640 139.8
[M+HCOO]- 263.06734 172.2
[M+CH3COO]- 277.08299 189.6
[M+Na-2H]- 239.04381 152.0
[M]+ 218.06859 145.8
[M]- 218.06969 145.8
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.