CID 816761

2,5-diaminoterephthalic acid

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O
InChI
InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
InChIKey
WIOZZYWDYUOMAY-UHFFFAOYSA-N
Compound name
2,5-diaminoterephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

881
Patents

196.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 139.8
[M+Na]+ 219.03762 148.2
[M+NH4]+ 214.08222 144.9
[M+K]+ 235.01156 146.5
[M-H]- 195.04112 139.4
[M+Na-2H]- 217.02307 142.4
[M]+ 196.04785 140.2
[M]- 196.04895 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