CID 11217902

Methyl 5-phenyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C12H11NO2
SMILES
COC(=O)C1=CC=C(N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKey
GLGJCZQHYJZQMC-UHFFFAOYSA-N
Compound name
methyl 5-phenyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

201.07898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 143.0
[M+Na]+ 224.06820 150.9
[M-H]- 200.07170 147.4
[M+NH4]+ 219.11280 161.7
[M+K]+ 240.04214 147.6
[M+H-H2O]+ 184.07624 135.9
[M+HCOO]- 246.07718 165.7
[M+CH3COO]- 260.09283 180.5
[M+Na-2H]- 222.05365 147.2
[M]+ 201.07843 142.6
[M]- 201.07953 142.6
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