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]+ 234.133606 153.6
[M+Na]+ 256.115548 157.5
[M-H]- 232.119054 150.9
[M+NH4]+ 251.160153 169.7
[M+K]+ 272.089488 158.3
[M+H-H2O]+ 216.123590 148.8
[M+HCOO]- 278.124531 170.2
[M+CH3COO]- 292.140181 189.3
[M+Na-2H]- 254.100996 153.9
[M]+ 233.12578142 154.3
[M]- 233.12687858 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.