CID 14159698

71566-57-9

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CC/C=C/CCCCCCCCOC1CCCCO1

InChI

InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h3-4,17H,2,5-16H2,1H3/b4-3+

InChIKey

AVVCELTYKVUTOC-ONEGZZNKSA-N

Compound name

2-[(E)-dodec-9-enoxy]oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.24023 Da
Monoisotopic Mass: 5.6
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	171.5
[M+Na]+	291.229448	172.8
[M-H]-	267.232954	173.1
[M+NH4]+	286.274053	186.4
[M+K]+	307.203388	170.9
[M+H-H2O]+	251.237490	164.2
[M+HCOO]-	313.238431	188.8
[M+CH3COO]-	327.254081	199.1
[M+Na-2H]-	289.214896	173.3
[M]+	268.23968142	172.8
[M]-	268.24077858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe