CID 12361759

Methyl 1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C6H7NO2
SMILES
COC(=O)C1=CNC=C1
InChI
InChI=1S/C6H7NO2/c1-9-6(8)5-2-3-7-4-5/h2-4,7H,1H3
InChIKey
WLBNVSIQCFHAQB-UHFFFAOYSA-N
Compound name
methyl 1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

780
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 124.2
[M+Na]+ 148.03689 134.7
[M+NH4]+ 143.08150 131.8
[M+K]+ 164.01083 131.8
[M-H]- 124.04040 123.8
[M+Na-2H]- 146.02234 129.3
[M]+ 125.04713 125.2
[M]- 125.04822 125.2
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

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