CID 6808564

870-984-1

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC(=CC=C1C=NO)C(=O)O
InChI
InChI=1S/C8H7NO3/c10-8(11)7-3-1-6(2-4-7)5-9-12/h1-5,12H,(H,10,11)
InChIKey
UYCPLAQBBAOCGQ-UHFFFAOYSA-N
Compound name
4-(hydroxyiminomethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

165.04259 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.8
[M+Na]+ 188.03181 138.6
[M-H]- 164.03531 133.6
[M+NH4]+ 183.07641 150.4
[M+K]+ 204.00575 136.8
[M+H-H2O]+ 148.03985 125.2
[M+HCOO]- 210.04079 155.4
[M+CH3COO]- 224.05644 176.2
[M+Na-2H]- 186.01726 137.4
[M]+ 165.04204 130.3
[M]- 165.04314 130.3
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

patents stripe