CID 22709332

2-decyltetradecyl 2-methylprop-2-enoate

Structural Information

Molecular Formula

C₂₈H₅₄O₂

SMILES

CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)C(=C)C

InChI

InChI=1S/C28H54O2/c1-5-7-9-11-13-15-16-18-20-22-24-27(25-30-28(29)26(3)4)23-21-19-17-14-12-10-8-6-2/h27H,3,5-25H2,1-2,4H3

InChIKey

TXTFQNBIGUTDSM-UHFFFAOYSA-N

Compound name

2-decyltetradecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 319
Patents: 422.41238 Da
Monoisotopic Mass: 13.1
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]+	423.419656	223.3
[M+Na]+	445.401598	221.4
[M-H]-	421.405104	219.6
[M+NH4]+	440.446203	223.7
[M+K]+	461.375538	216.5
[M+H-H2O]+	405.409640	215.0
[M+HCOO]-	467.410581	227.9
[M+CH3COO]-	481.426231	236.5
[M+Na-2H]-	443.387046	214.9
[M]+	422.41183142	232.4
[M]-	422.41292858	232.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe