CID 71409403

2,5-dibutyl-4-methyl-1,3-oxazole

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

CCCCC1=C(N=C(O1)CCCC)C

InChI

InChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3

InChIKey

GJYCWEFBUWYVBX-UHFFFAOYSA-N

Compound name

2,5-dibutyl-4-methyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 195.16231 Da
Monoisotopic Mass: 4.2
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]+	196.16959	146.5
[M+Na]+	218.15153	158.3
[M+NH4]+	213.19613	154.4
[M+K]+	234.12547	153.2
[M-H]-	194.15503	148.9
[M+Na-2H]-	216.13698	150.7
[M]+	195.16176	148.8
[M]-	195.16286	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe