CID 121494099

Qm-657

Structural Information

Molecular Formula

C₁₆H₂₂O₃

SMILES

CC(=C)C(=O)OCCOC1C[C@@H]2C[C@H]1C3C2CC=C3

InChI

InChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3/t11-,12?,13?,14-,15?/m0/s1

InChIKey

YSAZPIOUAPMLDG-PJQWEWFWSA-N

Compound name

2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 39
Patents: 262.1569 Da
Monoisotopic Mass: 3.0
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]+	263.164176	169.1
[M+Na]+	285.146118	174.6
[M-H]-	261.149624	172.5
[M+NH4]+	280.190723	193.4
[M+K]+	301.120058	172.0
[M+H-H2O]+	245.154160	165.4
[M+HCOO]-	307.155101	187.4
[M+CH3COO]-	321.170751	198.2
[M+Na-2H]-	283.131566	166.3
[M]+	262.15635142	171.1
[M]-	262.15744858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe