CID 11075314

(2s)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKey
SZVRVSZFEDIMFM-ZCFIWIBFSA-N
Compound name
(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
Patents

233.12633 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 151.9
[M+Na]+ 256.11555 156.4
[M-H]- 232.11905 149.4
[M+NH4]+ 251.16015 168.1
[M+K]+ 272.08949 157.2
[M+H-H2O]+ 216.12359 147.8
[M+HCOO]- 278.12453 168.0
[M+CH3COO]- 292.14018 188.8
[M+Na-2H]- 254.10100 154.6
[M]+ 233.12578 152.7
[M]- 233.12688 152.7
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