CID 12922678

Methyl 5-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)6-4-5(10)2-3-7(6)9(12)13/h2-4,10H,1H3
InChIKey
VYLLCOXNYMTKMD-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-2-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

197.03242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.039696 136.0
[M+Na]+ 220.021638 143.9
[M-H]- 196.025144 139.1
[M+NH4]+ 215.066243 153.9
[M+K]+ 235.995578 139.0
[M+H-H2O]+ 180.029680 135.1
[M+HCOO]- 242.030621 160.4
[M+CH3COO]- 256.046271 174.3
[M+Na-2H]- 218.007086 142.8
[M]+ 197.03187142 136.1
[M]- 197.03296858 136.1
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