CID 15103

Selenomethionine

Structural Information

Molecular Formula
C5H11NO2Se
SMILES
C[Se]CCC(C(=O)O)N
InChI
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
RJFAYQIBOAGBLC-UHFFFAOYSA-N
Compound name
2-amino-4-methylselanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1915
References

25180
Patents

196.9955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.002776 142.0
[M+Na]+ 219.984718 147.3
[M-H]- 195.988224 139.9
[M+NH4]+ 215.029323 162.0
[M+K]+ 235.958658 146.6
[M+H-H2O]+ 179.992760 136.6
[M+HCOO]- 241.993701 162.7
[M+CH3COO]- 256.009351 175.7
[M+Na-2H]- 217.970166 143.7
[M]+ 196.99495142 140.4
[M]- 196.99604858 140.4
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