CID 91264744

2825008-67-9

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CC(CCN(C)C)(C(=O)O)O

InChI

InChI=1S/C7H15NO3/c1-7(11,6(9)10)4-5-8(2)3/h11H,4-5H2,1-3H3,(H,9,10)

InChIKey

WXQJUBXWOSCGHY-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-hydroxy-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.1052 Da
Monoisotopic Mass: -2.5
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]+	162.112476	135.6
[M+Na]+	184.094418	141.3
[M-H]-	160.097924	134.6
[M+NH4]+	179.139023	155.4
[M+K]+	200.068358	142.0
[M+H-H2O]+	144.102460	131.2
[M+HCOO]-	206.103401	155.9
[M+CH3COO]-	220.119051	179.5
[M+Na-2H]-	182.079866	140.1
[M]+	161.10465142	136.3
[M]-	161.10574858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe