CID 156178636

Methyl 3-formyl-1-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CN1C=CC(=C1C(=O)OC)C=O
InChI
InChI=1S/C8H9NO3/c1-9-4-3-6(5-10)7(9)8(11)12-2/h3-5H,1-2H3
InChIKey
VSIMHMSWAMJOPE-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.5
[M+Na]+ 190.04746 141.5
[M-H]- 166.05096 134.6
[M+NH4]+ 185.09206 153.0
[M+K]+ 206.02140 140.8
[M+H-H2O]+ 150.05550 125.9
[M+HCOO]- 212.05644 156.0
[M+CH3COO]- 226.07209 177.8
[M+Na-2H]- 188.03291 135.5
[M]+ 167.05769 135.3
[M]- 167.05879 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe