CID 62313448

4-cyclopropyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC1C2=CNC=C2C(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
InChIKey
FMFHNWWKATXURM-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 133.9
[M+Na]+ 174.05254 145.5
[M+NH4]+ 169.09714 141.9
[M+K]+ 190.02648 144.0
[M-H]- 150.05604 141.4
[M+Na-2H]- 172.03799 141.3
[M]+ 151.06277 138.4
[M]- 151.06387 138.4
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.