CID 6951054

(2s,3r)-2-amino-3-(benzyloxy)butanoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
C[C@H]([C@@H](C(=O)O)N)OCC1=CC=CC=C1
InChI
InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKey
ONOURAAVVKGJNM-SCZZXKLOSA-N
Compound name
(2S,3R)-2-amino-3-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

570
Patents

209.1052 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 147.6
[M+Na]+ 232.094418 152.2
[M-H]- 208.097924 148.9
[M+NH4]+ 227.139023 164.6
[M+K]+ 248.068358 151.0
[M+H-H2O]+ 192.102460 141.2
[M+HCOO]- 254.103401 168.2
[M+CH3COO]- 268.119051 186.9
[M+Na-2H]- 230.079866 149.6
[M]+ 209.10465142 146.2
[M]- 209.10574858 146.2
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