CID 408195

[4-(3-hydroxypropylamino)phenyl]arsonic acid

Structural Information

Molecular Formula
C9H14AsNO4
SMILES
C1=CC(=CC=C1NCCCO)[As](=O)(O)O
InChI
InChI=1S/C9H14AsNO4/c12-7-1-6-11-9-4-2-8(3-5-9)10(13,14)15/h2-5,11-12H,1,6-7H2,(H2,13,14,15)
InChIKey
PZTVURRDBPYRBT-UHFFFAOYSA-N
Compound name
[4-(3-hydroxypropylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0139 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02118 156.2
[M+Na]+ 298.00312 161.8
[M-H]- 274.00662 155.3
[M+NH4]+ 293.04772 171.9
[M+K]+ 313.97706 158.7
[M+H-H2O]+ 258.01116 150.1
[M+HCOO]- 320.01210 175.7
[M+CH3COO]- 334.02775 182.9
[M+Na-2H]- 295.98857 161.6
[M]+ 275.01335 155.0
[M]- 275.01445 155.0
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.