CID 55280862

1207175-29-8

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=CCC1(COC1)O

InChI

InChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2,7H,1,3-5H2

InChIKey

YSSORDAPEBFRKL-UHFFFAOYSA-N

Compound name

3-prop-2-enyloxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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	118.7
[M+Na]+	137.05730	124.9
[M-H]-	113.06080	121.9
[M+NH4]+	132.10190	134.9
[M+K]+	153.03124	128.1
[M+H-H2O]+	97.065340	110.6
[M+HCOO]-	159.06628	139.2
[M+CH3COO]-	173.08193	168.8
[M+Na-2H]-	135.04275	127.4
[M]+	114.06753	127.0
[M]-	114.06863	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe