CID 255670

Ethyl 1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCOC(=O)C1=CC=CN1
InChI
InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChIKey
PAEYAKGINDQUCT-UHFFFAOYSA-N
Compound name
ethyl 1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1121
Patents

139.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 127.9
[M+Na]+ 162.052538 135.6
[M-H]- 138.056044 128.9
[M+NH4]+ 157.097143 149.2
[M+K]+ 178.026478 134.4
[M+H-H2O]+ 122.060580 122.0
[M+HCOO]- 184.061521 150.7
[M+CH3COO]- 198.077171 168.6
[M+Na-2H]- 160.037986 133.0
[M]+ 139.06277142 127.8
[M]- 139.06386858 127.8
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