CID 119919

Dodecyl formate

Structural Information

Molecular Formula

C₁₃H₂₆O₂

SMILES

CCCCCCCCCCCCOC=O

InChI

InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3

InChIKey

WPSGFSPBRBRLIQ-UHFFFAOYSA-N

Compound name

dodecyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6801
Patents: 214.19328 Da
Monoisotopic Mass: 5.7
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]+	215.200556	155.4
[M+Na]+	237.182498	160.0
[M-H]-	213.186004	154.4
[M+NH4]+	232.227103	174.2
[M+K]+	253.156438	158.3
[M+H-H2O]+	197.190540	149.5
[M+HCOO]-	259.191481	177.6
[M+CH3COO]-	273.207131	191.5
[M+Na-2H]-	235.167946	158.8
[M]+	214.19273142	161.6
[M]-	214.19382858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe