CID 151039

3-methylpent-2-en-1-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCC(=CCO)C

InChI

InChI=1S/C6H12O/c1-3-6(2)4-5-7/h4,7H,3,5H2,1-2H3

InChIKey

QFXSWGXWZXSGLC-UHFFFAOYSA-N

Compound name

3-methylpent-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 764
Patents: 100.08881 Da
Monoisotopic Mass: 1.5
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	121.6
[M+Na]+	123.078028	128.6
[M-H]-	99.081534	120.6
[M+NH4]+	118.122633	144.4
[M+K]+	139.051968	127.8
[M+H-H2O]+	83.086070	117.7
[M+HCOO]-	145.087011	143.3
[M+CH3COO]-	159.102661	165.7
[M+Na-2H]-	121.063476	127.0
[M]+	100.08826142	120.9
[M]-	100.08935858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe