CID 43056

L-4-selenalysine hydrochloride

Structural Information

Molecular Formula
C5H12N2O2Se
SMILES
C(C[Se]CC(C(=O)O)N)N
InChI
InChI=1S/C5H12N2O2Se/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
InChIKey
WJAIXCQFCNCZGH-UHFFFAOYSA-N
Compound name
2-amino-3-(2-aminoethylselanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.0064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01368 145.8
[M+Na]+ 234.99562 150.1
[M-H]- 210.99912 143.0
[M+NH4]+ 230.04022 164.5
[M+K]+ 250.96956 149.1
[M+H-H2O]+ 195.00366 139.7
[M+HCOO]- 257.00460 166.8
[M+CH3COO]- 271.02025 180.2
[M+Na-2H]- 232.98107 146.6
[M]+ 212.00585 142.3
[M]- 212.00695 142.3
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