CID 16399

2-methyl-1-penten-3-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCC(C(=C)C)O

InChI

InChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3

InChIKey

DHNPVHJGKASNBQ-UHFFFAOYSA-N

Compound name

2-methylpent-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 510
Patents: 100.08881 Da
Monoisotopic Mass: 1.7
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]+	101.096086	121.5
[M+Na]+	123.078028	128.2
[M-H]-	99.081534	120.6
[M+NH4]+	118.122633	144.2
[M+K]+	139.051968	127.9
[M+H-H2O]+	83.086070	117.7
[M+HCOO]-	145.087011	142.3
[M+CH3COO]-	159.102661	167.3
[M+Na-2H]-	121.063476	125.7
[M]+	100.08826142	120.3
[M]-	100.08935858	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe