CID 12603471

Ethyl 3-hydroxy-2,3-dimethylbutanoate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCOC(=O)C(C)C(C)(C)O

InChI

InChI=1S/C8H16O3/c1-5-11-7(9)6(2)8(3,4)10/h6,10H,5H2,1-4H3

InChIKey

NXASSQYFJWHKMN-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-2,3-dimethylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 160.10994 Da
Monoisotopic Mass: 0.9
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]+	161.11722	135.9
[M+Na]+	183.09916	144.2
[M+NH4]+	178.14376	142.2
[M+K]+	199.07310	141.5
[M-H]-	159.10266	133.1
[M+Na-2H]-	181.08461	137.6
[M]+	160.10939	136.0
[M]-	160.11049	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe