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]+ 154.086256 132.5
[M+Na]+ 176.068198 139.9
[M-H]- 152.071704 133.4
[M+NH4]+ 171.112803 153.3
[M+K]+ 192.042138 138.4
[M+H-H2O]+ 136.076240 126.4
[M+HCOO]- 198.077181 155.0
[M+CH3COO]- 212.092831 171.7
[M+Na-2H]- 174.053646 137.1
[M]+ 153.07843142 132.8
[M]- 153.07952858 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

literature stripe

Patent stripe

patents stripe