CID 3040078

Brn 0913095

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CCNC(=O)C1=C(OC(=N1)C2CCCCC2)C

InChI

InChI=1S/C13H20N2O2/c1-3-14-12(16)11-9(2)17-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)

InChIKey

YIUOIROMOSKMIG-UHFFFAOYSA-N

Compound name

2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.15248 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]+	237.159756	156.2
[M+Na]+	259.141698	161.1
[M-H]-	235.145204	161.6
[M+NH4]+	254.186303	172.6
[M+K]+	275.115638	159.9
[M+H-H2O]+	219.149740	148.6
[M+HCOO]-	281.150681	175.7
[M+CH3COO]-	295.166331	193.2
[M+Na-2H]-	257.127146	157.8
[M]+	236.15193142	154.0
[M]-	236.15302858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe