CID 10943720

Benzyl (2s,3s)-2-amino-3-hydroxybutanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO3
SMILES
C[C@@H]([C@@H](C(=O)OCC1=CC=CC=C1)N)O
InChI
InChI=1S/C11H15NO3/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9/h2-6,8,10,13H,7,12H2,1H3/t8-,10-/m0/s1
InChIKey
IHRYAQVOEVWURS-WPRPVWTQSA-N
Compound name
benzyl (2S,3S)-2-amino-3-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 147.9
[M+Na]+ 232.094418 152.5
[M-H]- 208.097924 149.2
[M+NH4]+ 227.139023 165.0
[M+K]+ 248.068358 151.3
[M+H-H2O]+ 192.102460 141.5
[M+HCOO]- 254.103401 168.5
[M+CH3COO]- 268.119051 186.2
[M+Na-2H]- 230.079866 149.9
[M]+ 209.10465142 146.4
[M]- 209.10574858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe