CID 1486286

20228-85-7

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC=C1CON)C(=O)O
InChI
InChI=1S/C8H9NO3/c9-12-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
OMRHFPOJOQVYRB-UHFFFAOYSA-N
Compound name
4-(aminooxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.05824 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.5
[M+Na]+ 190.047458 139.8
[M-H]- 166.050964 134.6
[M+NH4]+ 185.092063 151.7
[M+K]+ 206.021398 138.3
[M+H-H2O]+ 150.055500 126.7
[M+HCOO]- 212.056441 156.1
[M+CH3COO]- 226.072091 177.2
[M+Na-2H]- 188.032906 138.0
[M]+ 167.05769142 131.7
[M]- 167.05878858 131.7
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