CID 83528909

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

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCCC1=CC=C(N1)C(=O)O
InChI
InChI=1S/C8H11NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKey
ANCHSDGIYBQDOA-UHFFFAOYSA-N
Compound name
5-propyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 132.5
[M+Na]+ 176.068198 140.2
[M-H]- 152.071704 132.3
[M+NH4]+ 171.112803 152.7
[M+K]+ 192.042138 137.8
[M+H-H2O]+ 136.076240 126.9
[M+HCOO]- 198.077181 153.4
[M+CH3COO]- 212.092831 170.9
[M+Na-2H]- 174.053646 135.9
[M]+ 153.07843142 131.3
[M]- 153.07952858 131.3
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