CID 68447

Menadoxime

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC1=CC(=NOCC(=O)O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H11NO4/c1-8-6-11(14-18-7-12(15)16)9-4-2-3-5-10(9)13(8)17/h2-6H,7H2,1H3,(H,15,16)
InChIKey
JBOOHWBSLUXBQW-UHFFFAOYSA-N
Compound name
2-[(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

245.0688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 149.5
[M+Na]+ 268.058018 157.8
[M-H]- 244.061524 154.4
[M+NH4]+ 263.102623 167.8
[M+K]+ 284.031958 155.5
[M+H-H2O]+ 228.066060 143.0
[M+HCOO]- 290.067001 172.6
[M+CH3COO]- 304.082651 195.7
[M+Na-2H]- 266.043466 155.2
[M]+ 245.06825142 151.6
[M]- 245.06934858 151.6
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

patents stripe