CID 11816837

207305-60-0

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-5-4-6(11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChIKey
POASMXSJVKADPM-LURJTMIESA-N
Compound name
(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

219.11067 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11795 149.4
[M+Na]+ 242.09989 153.9
[M-H]- 218.10339 146.7
[M+NH4]+ 237.14449 166.1
[M+K]+ 258.07383 154.4
[M+H-H2O]+ 202.10793 144.6
[M+HCOO]- 264.10887 167.3
[M+CH3COO]- 278.12452 185.3
[M+Na-2H]- 240.08534 151.3
[M]+ 219.11012 150.3
[M]- 219.11122 150.3
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