CID 170576

41768-20-1

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CC(=C)C(=O)OCC1(CO1)C

InChI

InChI=1S/C8H12O3/c1-6(2)7(9)10-4-8(3)5-11-8/h1,4-5H2,2-3H3

InChIKey

YSBPNMOAQMQEHE-UHFFFAOYSA-N

Compound name

(2-methyloxiran-2-yl)methyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1530
Patents: 156.07864 Da
Monoisotopic Mass: 1.0
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]+	157.08592	133.6
[M+Na]+	179.06786	142.9
[M-H]-	155.07136	139.3
[M+NH4]+	174.11246	150.4
[M+K]+	195.04180	143.7
[M+H-H2O]+	139.07590	129.0
[M+HCOO]-	201.07684	154.8
[M+CH3COO]-	215.09249	179.8
[M+Na-2H]-	177.05331	140.0
[M]+	156.07809	139.5
[M]-	156.07919	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe