CID 452082

Tetrahydrodexocycerulenin

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCCCCCC[C@H]1[C@H](O1)C(=O)N

InChI

InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-8-9-10-11(15-10)12(13)14/h10-11H,2-9H2,1H3,(H2,13,14)/t10-,11-/m0/s1

InChIKey

ZBELYHDTXFXIPO-QWRGUYRKSA-N

Compound name

(2S,3S)-3-nonyloxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.17288 Da
Monoisotopic Mass: 3.4
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]+	214.18016	151.7
[M+Na]+	236.16210	158.7
[M-H]-	212.16560	156.0
[M+NH4]+	231.20670	164.3
[M+K]+	252.13604	156.6
[M+H-H2O]+	196.17014	144.8
[M+HCOO]-	258.17108	173.0
[M+CH3COO]-	272.18673	195.6
[M+Na-2H]-	234.14755	154.8
[M]+	213.17233	157.3
[M]-	213.17343	157.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.