CID 69810535

Cyclol acrylate

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C=CC(=O)OC[C@@H]1C[C@H]2C[C@@H]1C=C2

InChI

InChI=1S/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2/t8-,9+,10+/m1/s1

InChIKey

IEOVKCGOIXZDRK-UTLUCORTSA-N

Compound name

[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 168
Patents: 178.09938 Da
Monoisotopic Mass: 2.4
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]+	179.106656	142.2
[M+Na]+	201.088598	149.5
[M-H]-	177.092104	145.0
[M+NH4]+	196.133203	167.4
[M+K]+	217.062538	147.3
[M+H-H2O]+	161.096640	137.9
[M+HCOO]-	223.097581	164.1
[M+CH3COO]-	237.113231	180.8
[M+Na-2H]-	199.074046	144.6
[M]+	178.09883142	143.2
[M]-	178.09992858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe