CID 51885231

1217977-71-3

Structural Information

Molecular Formula
C9H17NO4
SMILES
C[C@](CC(=O)OC(C)(C)C)(C(=O)O)N
InChI
InChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKey
VIQZVYPYYUPDQY-VIFPVBQESA-N
Compound name
(2S)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 145.6
[M+Na]+ 226.10497 151.3
[M+NH4]+ 221.14957 149.9
[M+K]+ 242.07891 150.8
[M-H]- 202.10847 141.3
[M+Na-2H]- 224.09042 145.6
[M]+ 203.11520 144.7
[M]- 203.11630 144.7
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.