CID 211075

22223-55-8

Structural Information

Molecular Formula
C5H9AsO3
SMILES
CC12CO[As](OC1)OC2
InChI
InChI=1S/C5H9AsO3/c1-5-2-7-6(8-3-5)9-4-5/h2-4H2,1H3
InChIKey
ZMXWMOYQYZGCAV-UHFFFAOYSA-N
Compound name
4-methyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98404 129.2
[M+Na]+ 214.96598 134.7
[M-H]- 190.96948 128.1
[M+NH4]+ 210.01058 153.0
[M+K]+ 230.93992 137.7
[M+H-H2O]+ 174.97402 124.4
[M+HCOO]- 236.97496 139.6
[M+CH3COO]- 250.99061 141.4
[M+Na-2H]- 212.95143 145.1
[M]+ 191.97621 133.4
[M]- 191.97731 133.4
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.