CID 65710035

Ethyl 2-(cyclopentylmethyl)-4-methyl-1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

CCOC(=O)C1=C(N=C(O1)CC2CCCC2)C

InChI

InChI=1S/C13H19NO3/c1-3-16-13(15)12-9(2)14-11(17-12)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3

InChIKey

YCMMHCCXFRHQPR-UHFFFAOYSA-N

Compound name

ethyl 2-(cyclopentylmethyl)-4-methyl-1,3-oxazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.13649 Da
Monoisotopic Mass: 3.8
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]+	238.143766	155.2
[M+Na]+	260.125708	161.7
[M-H]-	236.129214	161.1
[M+NH4]+	255.170313	173.8
[M+K]+	276.099648	161.4
[M+H-H2O]+	220.133750	148.8
[M+HCOO]-	282.134691	176.1
[M+CH3COO]-	296.150341	190.3
[M+Na-2H]-	258.111156	155.1
[M]+	237.13594142	157.4
[M]-	237.13703858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.