CID 16772791

2-(2,2-dimethylpropanamido)-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C(C(=O)O)NC(=O)C(C)(C)C)O
InChI
InChI=1S/C9H17NO4/c1-5(11)6(7(12)13)10-8(14)9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)
InChIKey
PGNGLIMISXAPIR-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.5
[M+Na]+ 226.10497 151.6
[M+NH4]+ 221.14957 150.6
[M+K]+ 242.07891 151.5
[M-H]- 202.10847 142.0
[M+Na-2H]- 224.09042 145.7
[M]+ 203.11520 145.3
[M]- 203.11630 145.3
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

No patent data available for this compound.