CID 12988

3-methyl-3-buten-1-ol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC(=C)CCO

InChI

InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3

InChIKey

CPJRRXSHAYUTGL-UHFFFAOYSA-N

Compound name

3-methylbut-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 29
References: 10180
Patents: 86.073166 Da
Monoisotopic Mass: 1.3
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	116.7
[M+Na]+	109.06238	127.2
[M+NH4]+	104.10699	125.0
[M+K]+	125.03632	122.0
[M-H]-	85.065890	116.0
[M+Na-2H]-	107.04783	120.7
[M]+	86.072617	117.8
[M]-	86.073715	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe