CID 20483908

1-propyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCCN1C=CC=C1C(=O)O
InChI
InChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKey
UZNOGUIVJCIQGE-UHFFFAOYSA-N
Compound name
1-propylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

153.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.6
[M+Na]+ 176.06820 139.8
[M-H]- 152.07170 132.8
[M+NH4]+ 171.11280 152.6
[M+K]+ 192.04214 138.3
[M+H-H2O]+ 136.07624 125.8
[M+HCOO]- 198.07718 154.1
[M+CH3COO]- 212.09283 173.5
[M+Na-2H]- 174.05365 135.6
[M]+ 153.07843 132.4
[M]- 153.07953 132.4
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