CID 13659833

Methyl 3-hydroxy-2-nitrobenzoate

Structural Information

Molecular Formula
C8H7NO5
SMILES
COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3
InChIKey
FHCNMPYMCKHBTK-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-2-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

197.03242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 136.8
[M+Na]+ 220.02164 149.0
[M+NH4]+ 215.06624 143.5
[M+K]+ 235.99558 147.7
[M-H]- 196.02514 138.2
[M+Na-2H]- 218.00709 141.7
[M]+ 197.03187 138.5
[M]- 197.03297 138.5
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