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 157.9
[M+Na]+ 272.12571 169.9
[M+NH4]+ 267.17031 164.9
[M+K]+ 288.09965 168.3
[M-H]- 248.12921 165.6
[M+Na-2H]- 270.11116 163.7
[M]+ 249.13594 162.7
[M]- 249.13704 162.7
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.