CID 53442770

3-ethyl-5-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCC1=C(NC(=C1)C)C(=O)O
InChI
InChI=1S/C8H11NO2/c1-3-6-4-5(2)9-7(6)8(10)11/h4,9H,3H2,1-2H3,(H,10,11)
InChIKey
URMSWYHCRTYQJT-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-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]+ 154.08626 132.7
[M+Na]+ 176.06820 142.9
[M+NH4]+ 171.11280 139.6
[M+K]+ 192.04214 140.4
[M-H]- 152.07170 131.8
[M+Na-2H]- 174.05365 136.2
[M]+ 153.07843 133.6
[M]- 153.07953 133.6
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.