CID 459218

[3-amino-4-(2-hydroxyethylamino)phenyl]arsonic acid

Structural Information

Molecular Formula
C8H13AsN2O4
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)N)NCCO
InChI
InChI=1S/C8H13AsN2O4/c10-7-5-6(9(13,14)15)1-2-8(7)11-3-4-12/h1-2,5,11-12H,3-4,10H2,(H2,13,14,15)
InChIKey
CJHJIFZPLPYVIV-UHFFFAOYSA-N
Compound name
[3-amino-4-(2-hydroxyethylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00912 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01640 155.1
[M+Na]+ 298.99834 161.1
[M-H]- 275.00184 154.1
[M+NH4]+ 294.04294 170.3
[M+K]+ 314.97228 158.0
[M+H-H2O]+ 259.00638 148.8
[M+HCOO]- 321.00732 175.2
[M+CH3COO]- 335.02297 186.1
[M+Na-2H]- 296.98379 159.6
[M]+ 276.00857 152.1
[M]- 276.00967 152.1
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.