CID 71359468

857678-47-8

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC(=C)C=C(C)O

InChI

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4,7H,1H2,2-3H3

InChIKey

CUTMCVGFZLPFEV-UHFFFAOYSA-N

Compound name

4-methylpenta-2,4-dien-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 98.073166 Da
Monoisotopic Mass: 2.1
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]+	99.080442	120.0
[M+Na]+	121.06238	127.1
[M-H]-	97.065890	119.2
[M+NH4]+	116.10699	142.8
[M+K]+	137.03632	126.2
[M+H-H2O]+	81.070426	116.3
[M+HCOO]-	143.07137	141.0
[M+CH3COO]-	157.08702	165.6
[M+Na-2H]-	119.04783	124.2
[M]+	98.072617	118.0
[M]-	98.073715	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe