CID 27915

138-62-5

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)O)O
InChI
InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7,10-11H,9H2,(H,12,13)
InChIKey
ZBWTWPZGSGMRTG-UHFFFAOYSA-N
Compound name
2-amino-2-(3,4-dihydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

157
Patents

183.05316 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.9
[M+Na]+ 206.04238 146.0
[M+NH4]+ 201.08698 142.6
[M+K]+ 222.01632 143.8
[M-H]- 182.04588 136.1
[M+Na-2H]- 204.02783 140.1
[M]+ 183.05261 137.4
[M]- 183.05371 137.4
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