CID 6433417

2-methyl-2-buten-1-ol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

C/C=C(\C)/CO

InChI

InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+

InChIKey

NEJDKFPXHQRVMV-HWKANZROSA-N

Compound name

(E)-2-methylbut-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 1122
Patents: 86.073166 Da
Monoisotopic Mass: 1.0
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	116.9
[M+Na]+	109.06238	127.4
[M+NH4]+	104.10699	125.2
[M+K]+	125.03632	122.2
[M-H]-	85.065890	116.2
[M+Na-2H]-	107.04783	120.8
[M]+	86.072617	117.9
[M]-	86.073715	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe