CID 12140651

2460739-68-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

219.11067 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.117946 149.4
[M+Na]+ 242.099888 153.9
[M-H]- 218.103394 146.7
[M+NH4]+ 237.144493 166.1
[M+K]+ 258.073828 154.4
[M+H-H2O]+ 202.107930 144.6
[M+HCOO]- 264.108871 167.3
[M+CH3COO]- 278.124521 185.3
[M+Na-2H]- 240.085336 151.3
[M]+ 219.11012142 150.3
[M]- 219.11121858 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

No literature data available for this compound.

Patent stripe

patents stripe