CID 220944

Ethyl 2-(1h-pyrrol-2-yl)acetate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)CC1=CC=CN1
InChI
InChI=1S/C8H11NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h3-5,9H,2,6H2,1H3
InChIKey
BSQHTIJMZDDKAZ-UHFFFAOYSA-N
Compound name
ethyl 2-(1H-pyrrol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

153.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.5
[M+Na]+ 176.06820 139.9
[M-H]- 152.07170 133.4
[M+NH4]+ 171.11280 153.3
[M+K]+ 192.04214 138.4
[M+H-H2O]+ 136.07624 126.4
[M+HCOO]- 198.07718 155.0
[M+CH3COO]- 212.09283 171.7
[M+Na-2H]- 174.05365 137.1
[M]+ 153.07843 132.8
[M]- 153.07953 132.8
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.