CID 550168

Decyl cyclopropanecarboxylate

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCCCCCOC(=O)C1CC1

InChI

InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-12-16-14(15)13-10-11-13/h13H,2-12H2,1H3

InChIKey

HYEPHAVKOSIDHM-UHFFFAOYSA-N

Compound name

decyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.19328 Da
Monoisotopic Mass: 5.0
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]+	227.200556	157.5
[M+Na]+	249.182498	163.5
[M-H]-	225.186004	160.9
[M+NH4]+	244.227103	171.1
[M+K]+	265.156438	160.7
[M+H-H2O]+	209.190540	150.5
[M+HCOO]-	271.191481	178.8
[M+CH3COO]-	285.207131	195.7
[M+Na-2H]-	247.167946	159.8
[M]+	226.19273142	164.3
[M]-	226.19382858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe