CID 3022440

2-methyltridecyl acrylate

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCCCCCCCC(C)COC(=O)C=C

InChI

InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-14-16(3)15-19-17(18)5-2/h5,16H,2,4,6-15H2,1,3H3

InChIKey

UDPCWAFIJHHTNI-UHFFFAOYSA-N

Compound name

2-methyltridecyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	269.247506	173.4
[M+Na]+	291.229448	176.4
[M-H]-	267.232954	171.9
[M+NH4]+	286.274053	190.0
[M+K]+	307.203388	173.9
[M+H-H2O]+	251.237490	167.1
[M+HCOO]-	313.238431	192.5
[M+CH3COO]-	327.254081	203.4
[M+Na-2H]-	289.214896	172.2
[M]+	268.23968142	179.1
[M]-	268.24077858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe