CID 45791713

4-(methoxycarbonyl)-5-methyl-3-propyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H15NO4
SMILES
CCCC1=C(NC(=C1C(=O)OC)C)C(=O)O
InChI
InChI=1S/C11H15NO4/c1-4-5-7-8(11(15)16-3)6(2)12-9(7)10(13)14/h12H,4-5H2,1-3H3,(H,13,14)
InChIKey
XFNHFVZKCXKKFV-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 151.3
[M+Na]+ 248.08933 160.0
[M+NH4]+ 243.13393 156.1
[M+K]+ 264.06327 158.8
[M-H]- 224.09283 148.8
[M+Na-2H]- 246.07478 152.3
[M]+ 225.09956 151.3
[M]- 225.10066 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.