CID 99569

Propionic acid, 3-selenino-

Structural Information

Molecular Formula
C3H6O4Se
SMILES
C(C[Se](=O)O)C(=O)O
InChI
InChI=1S/C3H6O4Se/c4-3(5)1-2-8(6)7/h1-2H2,(H,4,5)(H,6,7)
InChIKey
MWCFLVIINTZQSP-UHFFFAOYSA-N
Compound name
3-seleninopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.94313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95041 132.9
[M+Na]+ 208.93235 139.7
[M-H]- 184.93585 130.3
[M+NH4]+ 203.97695 153.1
[M+K]+ 224.90629 139.3
[M+H-H2O]+ 168.94039 128.2
[M+HCOO]- 230.94133 153.0
[M+CH3COO]- 244.95698 166.1
[M+Na-2H]- 206.91780 136.2
[M]+ 185.94258 132.7
[M]- 185.94368 132.7
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.