CID 853484

Z-d-thr-oh

Structural Information

Molecular Formula
C12H15NO5
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)O
InChI
InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m0/s1
InChIKey
IPJUIRDNBFZGQN-WCBMZHEXSA-N
Compound name
(2R,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

486
Patents

253.09502 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 156.5
[M+Na]+ 276.08424 160.1
[M-H]- 252.08774 156.9
[M+NH4]+ 271.12884 171.1
[M+K]+ 292.05818 159.4
[M+H-H2O]+ 236.09228 149.8
[M+HCOO]- 298.09322 175.6
[M+CH3COO]- 312.10887 191.3
[M+Na-2H]- 274.06969 157.5
[M]+ 253.09447 156.0
[M]- 253.09557 156.0
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

No patent data available for this compound.