CID 25076

3-selenylalanine

Structural Information

Molecular Formula
C3H7NO2Se
SMILES
C([C@@H](C(=O)O)N)[SeH]
InChI
InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
ZKZBPNGNEQAJSX-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-selanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1419
References

41450
Patents

168.9642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.971476 132.8
[M+Na]+ 191.953418 138.9
[M-H]- 167.956924 131.0
[M+NH4]+ 186.998023 153.9
[M+K]+ 207.927358 138.7
[M+H-H2O]+ 151.961460 127.7
[M+HCOO]- 213.962401 154.0
[M+CH3COO]- 227.978051 169.6
[M+Na-2H]- 189.938866 135.6
[M]+ 168.96365142 130.4
[M]- 168.96474858 130.4
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