CID 8312

Glycarsamide

Structural Information

Molecular Formula
C8H10AsNO5
SMILES
C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O
InChI
InChI=1S/C8H10AsNO5/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H,10,12)(H2,13,14,15)
InChIKey
QABXFDAPQQVMKL-UHFFFAOYSA-N
Compound name
[4-[(2-hydroxyacetyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

972
Patents

274.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98476 152.2
[M+Na]+ 297.96670 160.3
[M+NH4]+ 293.01130 156.7
[M+K]+ 313.94064 157.9
[M-H]- 273.97020 150.1
[M+Na-2H]- 295.95215 154.9
[M]+ 274.97693 152.2
[M]- 274.97803 152.2
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

patents stripe