CID 8257

2-methyl-3-buten-2-ol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC(C)(C=C)O

InChI

InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

InChIKey

HNVRRHSXBLFLIG-UHFFFAOYSA-N

Compound name

2-methylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 61
References: 9137
Patents: 86.073166 Da
Monoisotopic Mass: 0.8
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]+	87.080442	116.6
[M+Na]+	109.06238	127.2
[M+NH4]+	104.10699	124.8
[M+K]+	125.03632	122.4
[M-H]-	85.065890	115.5
[M+Na-2H]-	107.04783	120.8
[M]+	86.072617	117.7
[M]-	86.073715	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe