CID 15628876

Methyl 1-acetyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(=O)N1C=CC(=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-6(10)9-4-3-7(5-9)8(11)12-2/h3-5H,1-2H3
InChIKey
XNEPOBYEFLQFMM-UHFFFAOYSA-N
Compound name
methyl 1-acetylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.8
[M+Na]+ 190.04746 141.6
[M-H]- 166.05096 135.7
[M+NH4]+ 185.09206 154.0
[M+K]+ 206.02140 141.5
[M+H-H2O]+ 150.05550 127.0
[M+HCOO]- 212.05644 156.3
[M+CH3COO]- 226.07209 176.8
[M+Na-2H]- 188.03291 136.2
[M]+ 167.05769 135.5
[M]- 167.05879 135.5
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.