CID 101016

4-amino-2-methoxy-5-nitrobenzoic acid

Structural Information

Molecular Formula
C8H8N2O5
SMILES
COC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N
InChI
InChI=1S/C8H8N2O5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,9H2,1H3,(H,11,12)
InChIKey
AOANPIGDKLHHIC-UHFFFAOYSA-N
Compound name
4-amino-2-methoxy-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

212.04332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.050596 139.0
[M+Na]+ 235.032538 146.6
[M-H]- 211.036044 141.7
[M+NH4]+ 230.077143 155.8
[M+K]+ 251.006478 141.4
[M+H-H2O]+ 195.040580 137.7
[M+HCOO]- 257.041521 163.7
[M+CH3COO]- 271.057171 180.5
[M+Na-2H]- 233.017986 144.5
[M]+ 212.04277142 137.7
[M]- 212.04386858 137.7
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