CID 370185

Nsc642926

Structural Information

Molecular Formula
C3H9AsO5
SMILES
C(C(C[As](=O)(O)O)O)O
InChI
InChI=1S/C3H9AsO5/c5-2-3(6)1-4(7,8)9/h3,5-6H,1-2H2,(H2,7,8,9)
InChIKey
APPBGVNZOXYIAD-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.9666 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97388 137.2
[M+Na]+ 222.95582 143.3
[M-H]- 198.95932 131.8
[M+NH4]+ 218.00042 155.3
[M+K]+ 238.92976 142.2
[M+H-H2O]+ 182.96386 133.1
[M+HCOO]- 244.96480 153.6
[M+CH3COO]- 258.98045 163.5
[M+Na-2H]- 220.94127 141.5
[M]+ 199.96605 135.5
[M]- 199.96715 135.5
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

patents stripe