CID 5339382

94946-34-6

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]+ 219.076416 146.8
[M+Na]+ 241.058358 152.3
[M-H]- 217.061864 150.1
[M+NH4]+ 236.102963 164.1
[M+K]+ 257.032298 149.9
[M+H-H2O]+ 201.066400 139.8
[M+HCOO]- 263.067341 172.2
[M+CH3COO]- 277.082991 189.6
[M+Na-2H]- 239.043806 152.0
[M]+ 218.06859142 145.8
[M]- 218.06968858 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.