CID 12715793

5-(dimethylamino)-2-nitrobenzoic acid

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C9H10N2O4/c1-10(2)6-3-4-8(11(14)15)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
RIBZKYVKDZGFBP-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

91
Patents

210.06406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 140.6
[M+Na]+ 233.05328 147.4
[M-H]- 209.05678 144.9
[M+NH4]+ 228.09788 158.3
[M+K]+ 249.02722 143.1
[M+H-H2O]+ 193.06132 139.1
[M+HCOO]- 255.06226 166.0
[M+CH3COO]- 269.07791 184.3
[M+Na-2H]- 231.03873 146.5
[M]+ 210.06351 140.2
[M]- 210.06461 140.2
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