CID 6892928

4-[(methoxyimino)methyl]benzoic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
CO/N=C/C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKey
GOJYSIUTEMBHIG-UXBLZVDNSA-N
Compound name
4-[(E)-methoxyiminomethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.8
[M+Na]+ 202.047458 142.6
[M-H]- 178.050964 138.8
[M+NH4]+ 197.092063 154.6
[M+K]+ 218.021398 141.5
[M+H-H2O]+ 162.055500 128.7
[M+HCOO]- 224.056441 160.5
[M+CH3COO]- 238.072091 181.8
[M+Na-2H]- 200.032906 141.4
[M]+ 179.05769142 136.6
[M]- 179.05878858 136.6
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

No patent data available for this compound.