CID 2071

(rs)-aminoindan-1,5-dicarboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CC(C2=C1C=C(C=C2)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
InChIKey
LSTPKMWNRWCNLS-UHFFFAOYSA-N
Compound name
1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

160
References

753
Patents

221.0688 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.0
[M+Na]+ 244.05802 153.7
[M-H]- 220.06152 147.9
[M+NH4]+ 239.10262 167.1
[M+K]+ 260.03196 150.9
[M+H-H2O]+ 204.06606 141.8
[M+HCOO]- 266.06700 165.6
[M+CH3COO]- 280.08265 184.8
[M+Na-2H]- 242.04347 149.1
[M]+ 221.06825 143.6
[M]- 221.06935 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