CID 103282682

1258540-35-0

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC(=C1)C(=O)O)CNO
InChI
InChI=1S/C8H9NO3/c10-8(11)7-3-1-2-6(4-7)5-9-12/h1-4,9,12H,5H2,(H,10,11)
InChIKey
LSIUZMCKBHLCCZ-UHFFFAOYSA-N
Compound name
3-[(hydroxyamino)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.5
[M+Na]+ 190.04746 139.4
[M-H]- 166.05096 133.7
[M+NH4]+ 185.09206 151.2
[M+K]+ 206.02140 137.3
[M+H-H2O]+ 150.05550 126.9
[M+HCOO]- 212.05644 155.2
[M+CH3COO]- 226.07209 175.3
[M+Na-2H]- 188.03291 138.5
[M]+ 167.05769 130.8
[M]- 167.05879 130.8
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