CID 88592027

(2r)-1-methoxypent-4-yn-2-ol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC[C@@H](CC#C)O

InChI

InChI=1S/C6H10O2/c1-3-4-6(7)5-8-2/h1,6-7H,4-5H2,2H3/t6-/m1/s1

InChIKey

AHYRVNKHSDIXGZ-ZCFIWIBFSA-N

Compound name

(2R)-1-methoxypent-4-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	121.5
[M+Na]+	137.05730	130.6
[M-H]-	113.06080	120.2
[M+NH4]+	132.10190	141.3
[M+K]+	153.03124	129.7
[M+H-H2O]+	97.065340	111.5
[M+HCOO]-	159.06628	138.1
[M+CH3COO]-	173.08193	177.2
[M+Na-2H]-	135.04275	126.5
[M]+	114.06753	117.3
[M]-	114.06863	117.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe