CID 10352629

Ethyl 3-(1-methyl-1h-pyrrol-2-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H13NO3
SMILES
CCOC(=O)CC(=O)C1=CC=CN1C
InChI
InChI=1S/C10H13NO3/c1-3-14-10(13)7-9(12)8-5-4-6-11(8)2/h4-6H,3,7H2,1-2H3
InChIKey
VABCJCIFLKGBSR-UHFFFAOYSA-N
Compound name
ethyl 3-(1-methylpyrrol-2-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 142.1
[M+Na]+ 218.078758 149.9
[M-H]- 194.082264 144.6
[M+NH4]+ 213.123363 162.0
[M+K]+ 234.052698 149.2
[M+H-H2O]+ 178.086800 135.8
[M+HCOO]- 240.087741 164.9
[M+CH3COO]- 254.103391 183.5
[M+Na-2H]- 216.064206 144.4
[M]+ 195.08899142 145.6
[M]- 195.09008858 145.6
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