CID 20560368

2-acetyl-1-furfurylpyrrole

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)C1=CC=CN1CC2=CC=CO2
InChI
InChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3
InChIKey
AYCBWOMKZDMMQR-UHFFFAOYSA-N
Compound name
1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.3
[M+Na]+ 212.06820 148.0
[M-H]- 188.07170 145.4
[M+NH4]+ 207.11280 158.9
[M+K]+ 228.04214 147.1
[M+H-H2O]+ 172.07624 132.1
[M+HCOO]- 234.07718 164.1
[M+CH3COO]- 248.09283 180.8
[M+Na-2H]- 210.05365 142.8
[M]+ 189.07843 142.5
[M]- 189.07953 142.5
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

patents stripe