CID 46685

64046-99-7

Structural Information

Molecular Formula
C10H15AsN2O4
SMILES
CCC(C(=O)N)NC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C10H15AsN2O4/c1-2-9(10(12)14)13-8-5-3-7(4-6-8)11(15,16)17/h3-6,9,13H,2H2,1H3,(H2,12,14)(H2,15,16,17)
InChIKey
YRDHRSYLZPYAMZ-UHFFFAOYSA-N
Compound name
[4-[(1-amino-1-oxobutan-2-yl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.02478 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03206 163.2
[M+Na]+ 325.01400 167.6
[M-H]- 301.01750 163.0
[M+NH4]+ 320.05860 177.5
[M+K]+ 340.98794 165.4
[M+H-H2O]+ 285.02204 156.4
[M+HCOO]- 347.02298 182.4
[M+CH3COO]- 361.03863 194.1
[M+Na-2H]- 322.99945 165.4
[M]+ 302.02423 160.3
[M]- 302.02533 160.3
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.