CID 13847817

Isononyl methacrylate

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC(C)CCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C13H24O2/c1-11(2)9-7-5-6-8-10-15-13(14)12(3)4/h11H,3,5-10H2,1-2,4H3

InChIKey

XFZOHDFQOOTHRH-UHFFFAOYSA-N

Compound name

7-methyloctyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1616
Patents: 212.17763 Da
Monoisotopic Mass: 5.3
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]+	213.184906	155.0
[M+Na]+	235.166848	159.4
[M-H]-	211.170354	154.4
[M+NH4]+	230.211453	173.9
[M+K]+	251.140788	158.5
[M+H-H2O]+	195.174890	149.6
[M+HCOO]-	257.175831	174.5
[M+CH3COO]-	271.191481	192.3
[M+Na-2H]-	233.152296	154.7
[M]+	212.17708142	158.5
[M]-	212.17817858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe