CID 88984

Tetradecyl acrylate

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCCCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3

InChIKey

XZHNPVKXBNDGJD-UHFFFAOYSA-N

Compound name

tetradecyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9774
Patents: 268.24023 Da
Monoisotopic Mass: 7.3
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]+	269.24751	172.9
[M+Na]+	291.22945	176.0
[M-H]-	267.23295	171.3
[M+NH4]+	286.27405	189.5
[M+K]+	307.20339	173.1
[M+H-H2O]+	251.23749	166.4
[M+HCOO]-	313.23843	193.0
[M+CH3COO]-	327.25408	202.7
[M+Na-2H]-	289.21490	172.9
[M]+	268.23968	179.2
[M]-	268.24078	179.2

Literature stripe

literature stripe

Patent stripe

patents stripe