CID 6474831

(e)-4-(benzyloxyamino)-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC=C(C=C1)CONC(=O)/C=C/C(=O)O
InChI
InChI=1S/C11H11NO4/c13-10(6-7-11(14)15)12-16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKey
JFUGHCIHXPQYTE-VOTSOKGWSA-N
Compound name
(E)-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 147.2
[M+Na]+ 244.058018 152.7
[M-H]- 220.061524 149.1
[M+NH4]+ 239.102623 164.0
[M+K]+ 260.031958 150.6
[M+H-H2O]+ 204.066060 140.6
[M+HCOO]- 266.067001 170.1
[M+CH3COO]- 280.082651 185.7
[M+Na-2H]- 242.043466 151.7
[M]+ 221.06825142 147.3
[M]- 221.06934858 147.3
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

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