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

1
Patents

203.11575 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 146.3
[M+Na]+ 226.104968 150.7
[M-H]- 202.108474 143.8
[M+NH4]+ 221.149573 163.6
[M+K]+ 242.078908 151.1
[M+H-H2O]+ 186.113010 141.9
[M+HCOO]- 248.113951 163.0
[M+CH3COO]- 262.129601 184.8
[M+Na-2H]- 224.090416 146.9
[M]+ 203.11520142 145.2
[M]- 203.11629858 145.2
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