CID 2527

1977-33-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₅

SMILES

CC(C)(CO)C(C(=O)NCCCC(=O)O)O

InChI

InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)

InChIKey

SBBDHANTMHIRGW-UHFFFAOYSA-N

Compound name

4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 141
References: 19050
Patents: 233.12633 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.13361	153.5
[M+Na]+	256.11555	157.7
[M+NH4]+	251.16015	156.5
[M+K]+	272.08949	157.4
[M-H]-	232.11905	148.1
[M+Na-2H]-	254.10100	151.7
[M]+	233.12578	151.8
[M]-	233.12688	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe