CID 11380007

279218-76-7

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC(=C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1,5-10H2,2-4H3

InChIKey

WLZMKZGLQVILBX-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1022
Patents: 262.19327 Da
Monoisotopic Mass: 4.6
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]+	263.200546	170.9
[M+Na]+	285.182488	171.2
[M-H]-	261.185994	165.3
[M+NH4]+	280.227093	194.2
[M+K]+	301.156428	168.4
[M+H-H2O]+	245.190530	165.5
[M+HCOO]-	307.191471	173.4
[M+CH3COO]-	321.207121	206.1
[M+Na-2H]-	283.167936	178.1
[M]+	262.19272142	171.4
[M]-	262.19381858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe