CID 44147433

93963-32-7

Structural Information

Molecular Formula

C₁₆H₂₀O₂

SMILES

CCOC(=O)C1(CC2CCC1C2)C3=CC=CC=C3

InChI

InChI=1S/C16H20O2/c1-2-18-15(17)16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12/h3-7,12,14H,2,8-11H2,1H3

InChIKey

MHLXHLFXWNSRON-UHFFFAOYSA-N

Compound name

ethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.14633 Da
Monoisotopic Mass: 4.0
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]+	245.153606	160.4
[M+Na]+	267.135548	166.6
[M-H]-	243.139054	166.2
[M+NH4]+	262.180153	184.7
[M+K]+	283.109488	163.2
[M+H-H2O]+	227.143590	155.0
[M+HCOO]-	289.144531	180.6
[M+CH3COO]-	303.160181	192.0
[M+Na-2H]-	265.120996	162.1
[M]+	244.14578142	160.3
[M]-	244.14687858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.