CID 3022441

2-methyltetradecyl acrylate

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

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

InChI

InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-15-17(3)16-20-18(19)5-2/h5,17H,2,4,6-16H2,1,3H3

InChIKey

UHSGJVXENOKVTE-UHFFFAOYSA-N

Compound name

2-methyltetradecyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 282.2559 Da
Monoisotopic Mass: 7.8
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]+	283.263176	178.0
[M+Na]+	305.245118	180.5
[M-H]-	281.248624	176.3
[M+NH4]+	300.289723	194.0
[M+K]+	321.219058	177.8
[M+H-H2O]+	265.253160	171.5
[M+HCOO]-	327.254101	196.8
[M+CH3COO]-	341.269751	206.4
[M+Na-2H]-	303.230566	176.2
[M]+	282.25535142	184.0
[M]-	282.25644858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe