CID 459208

P-(2-hydroxyethylcarbamylmethoxy)-benzenearsonic acid

Structural Information

Molecular Formula
C10H14AsNO6
SMILES
C1=CC(=CC=C1OCC(=O)NCCO)[As](=O)(O)O
InChI
InChI=1S/C10H14AsNO6/c13-6-5-12-10(14)7-18-9-3-1-8(2-4-9)11(15,16)17/h1-4,13H,5-7H2,(H,12,14)(H2,15,16,17)
InChIKey
ZCDPSCDCQROOFJ-UHFFFAOYSA-N
Compound name
[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0037 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01098 164.6
[M+Na]+ 341.99292 169.5
[M-H]- 317.99642 163.6
[M+NH4]+ 337.03752 178.2
[M+K]+ 357.96686 167.4
[M+H-H2O]+ 302.00096 157.9
[M+HCOO]- 364.00190 183.4
[M+CH3COO]- 378.01755 189.9
[M+Na-2H]- 339.97837 168.6
[M]+ 319.00315 165.2
[M]- 319.00425 165.2
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.