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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.2
[M+Na]+ 260.12571 161.7
[M-H]- 236.12921 161.1
[M+NH4]+ 255.17031 173.8
[M+K]+ 276.09965 161.4
[M+H-H2O]+ 220.13375 148.8
[M+HCOO]- 282.13469 176.1
[M+CH3COO]- 296.15034 190.3
[M+Na-2H]- 258.11116 155.1
[M]+ 237.13594 157.4
[M]- 237.13704 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.