CID 2779822

423768-51-8

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCOC(=O)C1=C(N(C(=C1C(=O)C)C)C2CC2)C
InChI
InChI=1S/C14H19NO3/c1-5-18-14(17)13-9(3)15(11-6-7-11)8(2)12(13)10(4)16/h11H,5-7H2,1-4H3
InChIKey
KUMRNXGGFLRUIV-UHFFFAOYSA-N
Compound name
ethyl 4-acetyl-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.8
[M+Na]+ 272.12571 167.4
[M-H]- 248.12921 163.7
[M+NH4]+ 267.17031 170.5
[M+K]+ 288.09965 163.6
[M+H-H2O]+ 232.13375 150.5
[M+HCOO]- 294.13469 178.3
[M+CH3COO]- 308.15034 200.2
[M+Na-2H]- 270.11116 155.6
[M]+ 249.13594 163.9
[M]- 249.13704 163.9
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.