CID 459215

[3-[bis(2-hydroxyethyl)amino]-4-hydroxy-phenyl]arsonic acid

Structural Information

Molecular Formula
C10H16AsNO6
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)N(CCO)CCO)O
InChI
InChI=1S/C10H16AsNO6/c13-5-3-12(4-6-14)9-7-8(11(16,17)18)1-2-10(9)15/h1-2,7,13-15H,3-6H2,(H2,16,17,18)
InChIKey
YKOOKKYNLFFKGQ-UHFFFAOYSA-N
Compound name
[3-[bis(2-hydroxyethyl)amino]-4-hydroxyphenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.01935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02663 165.8
[M+Na]+ 344.00857 170.7
[M-H]- 320.01207 163.6
[M+NH4]+ 339.05317 178.8
[M+K]+ 359.98251 168.6
[M+H-H2O]+ 304.01661 159.4
[M+HCOO]- 366.01755 182.7
[M+CH3COO]- 380.03320 190.5
[M+Na-2H]- 341.99402 168.6
[M]+ 321.01880 165.7
[M]- 321.01990 165.7
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.