CID 11708230

Dtxsid901019621

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

70
Patents

197.97952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98680 140.8
[M+Na]+ 220.96874 146.5
[M-H]- 196.97224 137.9
[M+NH4]+ 216.01334 160.7
[M+K]+ 236.94268 145.8
[M+H-H2O]+ 180.97678 136.0
[M+HCOO]- 242.97772 159.8
[M+CH3COO]- 256.99337 170.9
[M+Na-2H]- 218.95419 143.0
[M]+ 197.97897 140.6
[M]- 197.98007 140.6
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