CID 14274715

1246370-78-4

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)N)N)O)O
InChI
InChI=1S/C9H12N2O3/c10-6(9(11)14)3-5-1-2-7(12)8(13)4-5/h1-2,4,6,12-13H,3,10H2,(H2,11,14)/t6-/m0/s1
InChIKey
DXOJUCNAHCVBRU-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

196.0848 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 142.1
[M+Na]+ 219.07402 150.4
[M+NH4]+ 214.11862 147.9
[M+K]+ 235.04796 147.8
[M-H]- 195.07752 142.4
[M+Na-2H]- 217.05947 145.3
[M]+ 196.08425 142.8
[M]- 196.08535 142.8
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