CID 58332899

Tert-butyl 3-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CC(CO)C(=O)OC(C)(C)C

InChI

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

InChIKey

NMSFJYDCOHOLAA-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	136.1
[M+Na]+	183.09916	144.4
[M+NH4]+	178.14376	142.4
[M+K]+	199.07310	141.7
[M-H]-	159.10266	133.3
[M+Na-2H]-	181.08461	137.8
[M]+	160.10939	136.2
[M]-	160.11049	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe