CID 46684

Isobutarsamide

Structural Information

Molecular Formula
C10H15AsN2O4
SMILES
CC(C)(C(=O)N)NC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C10H15AsN2O4/c1-10(2,9(12)14)13-8-5-3-7(4-6-8)11(15,16)17/h3-6,13H,1-2H3,(H2,12,14)(H2,15,16,17)
InChIKey
OTASSKHSYYLYFX-UHFFFAOYSA-N
Compound name
[4-[(1-amino-2-methyl-1-oxopropan-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 162.4
[M+Na]+ 325.01400 167.5
[M-H]- 301.01750 162.5
[M+NH4]+ 320.05860 176.9
[M+K]+ 340.98794 165.3
[M+H-H2O]+ 285.02204 156.3
[M+HCOO]- 347.02298 181.0
[M+CH3COO]- 361.03863 193.7
[M+Na-2H]- 322.99945 167.0
[M]+ 302.02423 159.7
[M]- 302.02533 159.7
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.