CID 11676

2,3,3-trimethyl-2-butanol

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CC(C)(C)C(C)(C)O

InChI

InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3

InChIKey

OKXVARYIKDXAEO-UHFFFAOYSA-N

Compound name

2,3,3-trimethylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 916
Patents: 116.12012 Da
Monoisotopic Mass: 1.9
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]+	117.12740	126.7
[M+Na]+	139.10934	136.5
[M+NH4]+	134.15394	134.7
[M+K]+	155.08328	132.7
[M-H]-	115.11284	125.1
[M+Na-2H]-	137.09479	130.4
[M]+	116.11957	127.7
[M]-	116.12067	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe