CID 86775198

5-(1-acetylpiperidin-2-yl)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(=O)N1CCCCC1C2=CC=C(N2C)C(=O)O
InChI
InChI=1S/C13H18N2O3/c1-9(16)15-8-4-3-5-11(15)10-6-7-12(13(17)18)14(10)2/h6-7,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKey
LTPCNERPCUODGV-UHFFFAOYSA-N
Compound name
5-(1-acetylpiperidin-2-yl)-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.6
[M+Na]+ 273.12096 167.9
[M+NH4]+ 268.16556 164.3
[M+K]+ 289.09490 165.9
[M-H]- 249.12446 158.7
[M+Na-2H]- 271.10641 161.4
[M]+ 250.13119 159.4
[M]- 250.13229 159.4
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.

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No patent data available for this compound.