CID 2760240

(+)-4'-nitrotartranilic acid

Structural Information

Molecular Formula
C10H10N2O7
SMILES
C1=CC(=CC=C1NC(=O)[C@@H]([C@H](C(=O)O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O7/c13-7(8(14)10(16)17)9(15)11-5-1-3-6(4-2-5)12(18)19/h1-4,7-8,13-14H,(H,11,15)(H,16,17)/t7-,8-/m1/s1
InChIKey
UEJFXRDWAWAUFQ-HTQZYQBOSA-N
Compound name
(2R,3R)-2,3-dihydroxy-4-(4-nitroanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.0488 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05608 151.4
[M+Na]+ 293.03802 154.6
[M-H]- 269.04152 150.8
[M+NH4]+ 288.08262 163.5
[M+K]+ 309.01196 149.9
[M+H-H2O]+ 253.04606 149.5
[M+HCOO]- 315.04700 170.7
[M+CH3COO]- 329.06265 185.2
[M+Na-2H]- 291.02347 154.2
[M]+ 270.04825 147.3
[M]- 270.04935 147.3
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