CID 380796

2-amino-3-(9-anthryl)propanoic acid

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(C(=O)O)N
InChI
InChI=1S/C17H15NO2/c18-16(17(19)20)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10,18H2,(H,19,20)
InChIKey
MRVJUNXMEDRMRO-UHFFFAOYSA-N
Compound name
2-amino-3-anthracen-9-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

265.1103 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 158.7
[M+Na]+ 288.09952 166.5
[M-H]- 264.10302 162.6
[M+NH4]+ 283.14412 176.0
[M+K]+ 304.07346 161.5
[M+H-H2O]+ 248.10756 151.8
[M+HCOO]- 310.10850 179.1
[M+CH3COO]- 324.12415 170.3
[M+Na-2H]- 286.08497 165.2
[M]+ 265.10975 158.5
[M]- 265.11085 158.5
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

No patent data available for this compound.