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

literature stripe

Patent stripe

patents stripe