CID 3086394

Isotridecyl methacrylate

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CC(C)CCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C17H32O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-19-17(18)16(3)4/h15H,3,5-14H2,1-2,4H3

InChIKey

XWQPYRZLNKQZFP-UHFFFAOYSA-N

Compound name

11-methyldodecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 637
Patents: 268.24023 Da
Monoisotopic Mass: 7.5
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]+	269.247506	173.7
[M+Na]+	291.229448	176.4
[M-H]-	267.232954	172.3
[M+NH4]+	286.274053	190.2
[M+K]+	307.203388	174.4
[M+H-H2O]+	251.237490	167.5
[M+HCOO]-	313.238431	191.8
[M+CH3COO]-	327.254081	204.2
[M+Na-2H]-	289.214896	171.2
[M]+	268.23968142	178.7
[M]-	268.24077858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe