CID 54677755

Ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCOC(=O)C1=C(C(=O)N(C1)C2CCCCC2)O
InChI
InChI=1S/C13H19NO4/c1-2-18-13(17)10-8-14(12(16)11(10)15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3
InChIKey
DSLCMJWJIJKORD-UHFFFAOYSA-N
Compound name
ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

253.13141 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.8
[M+Na]+ 276.120628 163.0
[M-H]- 252.124134 161.3
[M+NH4]+ 271.165233 174.5
[M+K]+ 292.094568 161.0
[M+H-H2O]+ 236.128670 151.0
[M+HCOO]- 298.129611 174.9
[M+CH3COO]- 312.145261 190.8
[M+Na-2H]- 274.106076 156.4
[M]+ 253.13086142 155.1
[M]- 253.13195858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.