CID 3051638

Brn 2239947

Structural Information

Molecular Formula
C7H13AsO3
SMILES
CC(C)C12CO[As](OC1)OC2
InChI
InChI=1S/C7H13AsO3/c1-6(2)7-3-9-8(10-4-7)11-5-7/h6H,3-5H2,1-2H3
InChIKey
WJVWZADTAHAHNX-UHFFFAOYSA-N
Compound name
4-propan-2-yl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01534 140.4
[M+Na]+ 242.99728 144.7
[M-H]- 219.00078 138.8
[M+NH4]+ 238.04188 162.9
[M+K]+ 258.97122 147.6
[M+H-H2O]+ 203.00532 135.4
[M+HCOO]- 265.00626 149.0
[M+CH3COO]- 279.02191 151.5
[M+Na-2H]- 240.98273 153.9
[M]+ 220.00751 144.5
[M]- 220.00861 144.5
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.