CID 92661

57101-63-0

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CCCCCCCC1=NC(CO1)(CC)CO

InChI

InChI=1S/C13H25NO2/c1-3-5-6-7-8-9-12-14-13(4-2,10-15)11-16-12/h15H,3-11H2,1-2H3

InChIKey

GGTHMQKJWFHHRT-UHFFFAOYSA-N

Compound name

(4-ethyl-2-heptyl-5H-1,3-oxazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.18852 Da
Monoisotopic Mass: 2.9
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]+	228.195796	155.4
[M+Na]+	250.177738	161.3
[M-H]-	226.181244	156.1
[M+NH4]+	245.222343	174.2
[M+K]+	266.151678	160.0
[M+H-H2O]+	210.185780	149.6
[M+HCOO]-	272.186721	174.6
[M+CH3COO]-	286.202371	188.4
[M+Na-2H]-	248.163186	159.1
[M]+	227.18797142	158.8
[M]-	227.18906858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe