CID 121494101

Myb5k91hkv

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CC(=C)C(=O)OCC1CC[C@@H]2[C@H](C1)O2

InChI

InChI=1S/C11H16O3/c1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9/h8-10H,1,3-6H2,2H3/t8?,9-,10+/m1/s1

InChIKey

FYYIUODUDSPAJQ-XVBQNVSMSA-N

Compound name

[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2277
Patents: 196.10994 Da
Monoisotopic Mass: 1.9
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]+	197.117216	144.4
[M+Na]+	219.099158	152.1
[M-H]-	195.102664	149.9
[M+NH4]+	214.143763	158.7
[M+K]+	235.073098	151.0
[M+H-H2O]+	179.107200	138.3
[M+HCOO]-	241.108141	161.9
[M+CH3COO]-	255.123791	188.2
[M+Na-2H]-	217.084606	148.6
[M]+	196.10939142	147.3
[M]-	196.11048858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe