CID 3022436

2-methylnonyl acrylate

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CCCCCCCC(C)COC(=O)C=C

InChI

InChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3

InChIKey

DYJRZZRIXYRTMH-UHFFFAOYSA-N

Compound name

2-methylnonyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 212.17763 Da
Monoisotopic Mass: 5.1
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	159.6
[M-H]-	211.170354	154.3
[M+NH4]+	230.211453	173.9
[M+K]+	251.140788	158.2
[M+H-H2O]+	195.174890	149.4
[M+HCOO]-	257.175831	175.4
[M+CH3COO]-	271.191481	191.5
[M+Na-2H]-	233.152296	155.9
[M]+	212.17708142	159.1
[M]-	212.17817858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe