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 157.8
[M+Na]+ 273.12096 163.9
[M-H]- 249.12446 160.3
[M+NH4]+ 268.16556 173.3
[M+K]+ 289.09490 161.4
[M+H-H2O]+ 233.12900 150.2
[M+HCOO]- 295.12994 173.8
[M+CH3COO]- 309.14559 191.9
[M+Na-2H]- 271.10641 156.0
[M]+ 250.13119 154.9
[M]- 250.13229 154.9
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.