CID 11173

3-methyl-2-buten-1-ol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC(=CCO)C

InChI

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

InChIKey

ASUAYTHWZCLXAN-UHFFFAOYSA-N

Compound name

3-methylbut-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 111
References: 15934
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	124.3
[M-H]-	85.065890	116.1
[M+NH4]+	104.10699	140.2
[M+K]+	125.03632	123.8
[M+H-H2O]+	69.070426	113.3
[M+HCOO]-	131.07137	139.0
[M+CH3COO]-	145.08702	162.7
[M+Na-2H]-	107.04783	122.9
[M]+	86.072617	115.9
[M]-	86.073715	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe