CID 6906289

Methyl 4-[(hydroxyimino)methyl]benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

179.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 135.0
[M+Na]+ 202.047458 142.9
[M-H]- 178.050964 139.1
[M+NH4]+ 197.092063 154.9
[M+K]+ 218.021398 141.8
[M+H-H2O]+ 162.055500 129.0
[M+HCOO]- 224.056441 160.8
[M+CH3COO]- 238.072091 181.1
[M+Na-2H]- 200.032906 141.7
[M]+ 179.05769142 136.7
[M]- 179.05878858 136.7
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

patents stripe