CID 87831879

Dmsep

Structural Information

Molecular Formula
C5H11O2Se
SMILES
C[Se+](C)CCC(=O)O
InChI
InChI=1S/C5H10O2Se/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3/p+1
InChIKey
DBCGWLLKQUWQLH-UHFFFAOYSA-O
Compound name
2-carboxyethyl(dimethyl)selanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

182.99243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99971 137.0
[M+Na]+ 205.98165 143.3
[M-H]- 181.98515 135.9
[M+NH4]+ 201.02625 158.1
[M+K]+ 221.95559 137.7
[M+H-H2O]+ 165.98969 135.2
[M+HCOO]- 227.99063 157.1
[M+CH3COO]- 242.00628 164.5
[M+Na-2H]- 203.96710 142.0
[M]+ 182.99188 136.0
[M]- 182.99298 136.0
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.