CID 165916026

Lithium(1+) (2s)-2-{[(tert-butoxy)carbonyl]amino}-4-hydroxy-3-methylbutanoate

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(CO)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5/c1-6(5-12)7(8(13)14)11-9(15)16-10(2,3)4/h6-7,12H,5H2,1-4H3,(H,11,15)(H,13,14)/t6?,7-/m0/s1
InChIKey
STNZSAGGUPYPKH-MLWJPKLSSA-N
Compound name
(2S)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12633 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 153.6
[M+Na]+ 256.11555 157.5
[M-H]- 232.11905 150.9
[M+NH4]+ 251.16015 169.7
[M+K]+ 272.08949 158.3
[M+H-H2O]+ 216.12359 148.8
[M+HCOO]- 278.12453 170.2
[M+CH3COO]- 292.14018 189.3
[M+Na-2H]- 254.10100 153.9
[M]+ 233.12578 154.3
[M]- 233.12688 154.3
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.