CID 90112

Ethyl 1-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC(=O)C1=CC=CN1C
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6-9(7)2/h4-6H,3H2,1-2H3
InChIKey
IIKHONWHFIKUQV-UHFFFAOYSA-N
Compound name
ethyl 1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

153.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 130.9
[M+Na]+ 176.068198 139.7
[M-H]- 152.071704 133.6
[M+NH4]+ 171.112803 152.8
[M+K]+ 192.042138 139.1
[M+H-H2O]+ 136.076240 125.0
[M+HCOO]- 198.077181 154.9
[M+CH3COO]- 212.092831 175.5
[M+Na-2H]- 174.053646 135.4
[M]+ 153.07843142 133.5
[M]- 153.07952858 133.5
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