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 129.4
[M+Na]+ 174.05254 139.1
[M-H]- 150.05604 133.4
[M+NH4]+ 169.09714 144.7
[M+K]+ 190.02648 135.0
[M+H-H2O]+ 134.06058 123.4
[M+HCOO]- 196.06152 150.7
[M+CH3COO]- 210.07717 173.3
[M+Na-2H]- 172.03799 133.5
[M]+ 151.06277 129.6
[M]- 151.06387 129.6
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

No patent data available for this compound.