CID 9834704

(2r)-2-amino-3-(phenylselanyl)propanoic acid

Structural Information

Molecular Formula
C9H11NO2Se
SMILES
C1=CC=C(C=C1)[Se]C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H11NO2Se/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
PFLVUZBNZZOUSS-QMMMGPOBSA-N
Compound name
(2R)-2-amino-3-phenylselanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

244.9955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00278 151.9
[M+Na]+ 267.98472 156.8
[M-H]- 243.98822 152.9
[M+NH4]+ 263.02932 169.7
[M+K]+ 283.95866 154.3
[M+H-H2O]+ 227.99276 145.1
[M+HCOO]- 289.99370 173.0
[M+CH3COO]- 304.00935 183.1
[M+Na-2H]- 265.97017 154.4
[M]+ 244.99495 149.4
[M]- 244.99605 149.4
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