CID 95888

4-(hydroxyamino)benzoic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=CC=C1C(=O)O)NO
InChI
InChI=1S/C7H7NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4,8,11H,(H,9,10)
InChIKey
ZIJKJLVJUJMAOP-UHFFFAOYSA-N
Compound name
4-(hydroxyamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

153.04259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 127.9
[M+Na]+ 176.031808 135.2
[M-H]- 152.035314 129.3
[M+NH4]+ 171.076413 147.2
[M+K]+ 192.005748 133.4
[M+H-H2O]+ 136.039850 122.5
[M+HCOO]- 198.040791 151.0
[M+CH3COO]- 212.056441 172.3
[M+Na-2H]- 174.017256 134.5
[M]+ 153.04204142 125.8
[M]- 153.04313858 125.8
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