CID 12055

4-arsonophenylglycinamide

Structural Information

Molecular Formula
C8H11AsN2O4
SMILES
C1=CC(=CC=C1NCC(=O)N)[As](=O)(O)O
InChI
InChI=1S/C8H11AsN2O4/c10-8(12)5-11-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H2,10,12)(H2,13,14,15)
InChIKey
UULSDCUWMKTMND-UHFFFAOYSA-N
Compound name
[4-[(2-amino-2-oxoethyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

30
References

704
Patents

273.99347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00075 153.9
[M+Na]+ 296.98269 159.5
[M-H]- 272.98619 154.1
[M+NH4]+ 292.02729 169.5
[M+K]+ 312.95663 157.1
[M+H-H2O]+ 256.99073 147.4
[M+HCOO]- 318.99167 174.8
[M+CH3COO]- 333.00732 187.1
[M+Na-2H]- 294.96814 158.4
[M]+ 273.99292 151.0
[M]- 273.99402 151.0
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

patents stripe