CID 193386

2-hydroxydopamine

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1=CC(=C(C(=C1CCN)O)O)O
InChI
InChI=1S/C8H11NO3/c9-4-3-5-1-2-6(10)8(12)7(5)11/h1-2,10-12H,3-4,9H2
InChIKey
WYYIHCWISNZQQY-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

169.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.1
[M+Na]+ 192.06312 142.4
[M-H]- 168.06662 134.1
[M+NH4]+ 187.10772 152.5
[M+K]+ 208.03706 139.3
[M+H-H2O]+ 152.07116 129.1
[M+HCOO]- 214.07210 155.4
[M+CH3COO]- 228.08775 174.8
[M+Na-2H]- 190.04857 138.3
[M]+ 169.07335 131.7
[M]- 169.07445 131.7
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