CID 62577

Tetradecyl formate

Structural Information

Molecular Formula

C₁₅H₃₀O₂

SMILES

CCCCCCCCCCCCCCOC=O

InChI

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h15H,2-14H2,1H3

InChIKey

SJBKZSQQFOWRQX-UHFFFAOYSA-N

Compound name

tetradecyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2049
Patents: 242.22458 Da
Monoisotopic Mass: 6.8
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]+	243.231856	164.5
[M+Na]+	265.213798	168.2
[M-H]-	241.217304	163.1
[M+NH4]+	260.258403	182.2
[M+K]+	281.187738	166.0
[M+H-H2O]+	225.221840	158.2
[M+HCOO]-	287.222781	186.0
[M+CH3COO]-	301.238431	197.5
[M+Na-2H]-	263.199246	166.8
[M]+	242.22403142	171.4
[M]-	242.22512858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe