CID 21958129

Dtxsid501211178

Structural Information

Molecular Formula

C₁₅H₂₆O₃

SMILES

CC(=C)C(=O)OCCCCCCCCCC1CO1

InChI

InChI=1S/C15H26O3/c1-13(2)15(16)17-11-9-7-5-3-4-6-8-10-14-12-18-14/h14H,1,3-12H2,2H3

InChIKey

DGZNXJPBIXMBJR-UHFFFAOYSA-N

Compound name

9-(oxiran-2-yl)nonyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 427
Patents: 254.1882 Da
Monoisotopic Mass: 4.4
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]+	255.19548	160.8
[M+Na]+	277.17742	170.6
[M+NH4]+	272.22202	167.3
[M+K]+	293.15136	166.7
[M-H]-	253.18092	168.2
[M+Na-2H]-	275.16287	165.0
[M]+	254.18765	165.1
[M]-	254.18875	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe