CID 46209781

Neroplomacrol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C/C/1=C/CCC(OC(CC1)C(C)(C)O)(C)C=C

InChI

InChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8-

InChIKey

LWYUSWLRBKNRLB-WQLSENKSSA-N

Compound name

2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 2.7
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]+	239.200556	191.6
[M+Na]+	261.182498	194.1
[M-H]-	237.186004	191.9
[M+NH4]+	256.227103	192.1
[M+K]+	277.156438	191.8
[M+H-H2O]+	221.190540	183.6
[M+HCOO]-	283.191481	192.8
[M+CH3COO]-	297.207131	193.5
[M+Na-2H]-	259.167946	194.5
[M]+	238.19273142	192.3
[M]-	238.19382858	192.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.