CID 11708230

873660-49-2

Structural Information

Molecular Formula
C5H10O3Se
SMILES
C[Se]CCC(C(=O)O)O
InChI
InChI=1S/C5H10O3Se/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
WEOCERHBAGGBBP-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methylselanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

22
Patents

197.97952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98680 137.4
[M+Na]+ 220.96874 145.5
[M+NH4]+ 216.01334 143.5
[M+K]+ 236.94268 141.8
[M-H]- 196.97224 134.5
[M+Na-2H]- 218.95419 138.3
[M]+ 197.97897 137.2
[M]- 197.98007 137.2
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

patents stripe