CID 69126

2,5-diaminobenzoic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CC(=C(C=C1N)C(=O)O)N
InChI
InChI=1S/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)
InChIKey
UONVFNLDGRWLKF-UHFFFAOYSA-N
Compound name
2,5-diaminobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2855
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.3
[M+Na]+ 175.04780 137.2
[M-H]- 151.05130 131.4
[M+NH4]+ 170.09240 148.8
[M+K]+ 191.02174 135.0
[M+H-H2O]+ 135.05584 123.7
[M+HCOO]- 197.05678 153.4
[M+CH3COO]- 211.07243 177.8
[M+Na-2H]- 173.03325 133.7
[M]+ 152.05803 125.3
[M]- 152.05913 125.3
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