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 145.2
[M+Na]+ 226.10497 150.9
[M-H]- 202.10847 143.7
[M+NH4]+ 221.14957 163.2
[M+K]+ 242.07891 151.2
[M+H-H2O]+ 186.11301 141.1
[M+HCOO]- 248.11395 163.2
[M+CH3COO]- 262.12960 185.2
[M+Na-2H]- 224.09042 148.8
[M]+ 203.11520 145.8
[M]- 203.11630 145.8
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.