CID 205982

Methyl 4-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CNC(=C1)C(=O)OC
InChI
InChI=1S/C7H9NO2/c1-5-3-6(8-4-5)7(9)10-2/h3-4,8H,1-2H3
InChIKey
BMCUQYLZVGVDCW-UHFFFAOYSA-N
Compound name
methyl 4-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

65
Patents

139.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.2
[M+Na]+ 162.05254 138.9
[M+NH4]+ 157.09714 135.7
[M+K]+ 178.02648 136.0
[M-H]- 138.05604 127.9
[M+Na-2H]- 160.03799 132.8
[M]+ 139.06277 129.3
[M]- 139.06387 129.3
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