CID 95470

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

Structural Information

Molecular Formula
C9H14AsNO5
SMILES
CC(COC1=C(C=C(C=C1)[As](=O)(O)O)N)O
InChI
InChI=1S/C9H14AsNO5/c1-6(12)5-16-9-3-2-7(4-8(9)11)10(13,14)15/h2-4,6,12H,5,11H2,1H3,(H2,13,14,15)
InChIKey
FEQOAJFIPPBRLL-UHFFFAOYSA-N
Compound name
[3-amino-4-(2-hydroxypropoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.0088 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01608 159.2
[M+Na]+ 313.99802 165.3
[M-H]- 290.00152 158.2
[M+NH4]+ 309.04262 174.1
[M+K]+ 329.97196 163.1
[M+H-H2O]+ 274.00606 153.2
[M+HCOO]- 336.00700 177.2
[M+CH3COO]- 350.02265 186.9
[M+Na-2H]- 311.98347 161.7
[M]+ 291.00825 158.2
[M]- 291.00935 158.2
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

No patent data available for this compound.