CID 6701

2-anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)N
InChI
InChI=1S/C15H9NO4/c16-12-10(15(19)20)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2,(H,19,20)
InChIKey
MMKNBFSDCOALQO-UHFFFAOYSA-N
Compound name
1-amino-9,10-dioxoanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

254
Patents

267.05316 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 154.5
[M+Na]+ 290.04238 164.4
[M-H]- 266.04588 159.0
[M+NH4]+ 285.08698 172.1
[M+K]+ 306.01632 160.0
[M+H-H2O]+ 250.05042 148.1
[M+HCOO]- 312.05136 174.2
[M+CH3COO]- 326.06701 200.1
[M+Na-2H]- 288.02783 159.4
[M]+ 267.05261 154.1
[M]- 267.05371 154.1
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