CID 3684804

4-(dimethylamino)-3-nitrobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

210.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.7
[M+Na]+ 233.05328 153.1
[M+NH4]+ 228.09788 148.5
[M+K]+ 249.02722 151.9
[M-H]- 209.05678 144.1
[M+Na-2H]- 231.03873 146.7
[M]+ 210.06351 143.6
[M]- 210.06461 143.6
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