CID 47003105

Methyl 1-(piperidin-4-yl)-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
COC(=O)C1=CC=CN1C2CCNCC2
InChI
InChI=1S/C11H16N2O2/c1-15-11(14)10-3-2-8-13(10)9-4-6-12-7-5-9/h2-3,8-9,12H,4-7H2,1H3
InChIKey
BVCJCAIERAFYCY-UHFFFAOYSA-N
Compound name
methyl 1-piperidin-4-ylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 147.8
[M+Na]+ 231.110408 153.0
[M-H]- 207.113914 149.7
[M+NH4]+ 226.155013 164.6
[M+K]+ 247.084348 150.5
[M+H-H2O]+ 191.118450 139.8
[M+HCOO]- 253.119391 165.1
[M+CH3COO]- 267.135041 181.3
[M+Na-2H]- 229.095856 149.4
[M]+ 208.12064142 143.3
[M]- 208.12173858 143.3
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