CID 21469421

2126163-24-2

Structural Information

Molecular Formula
C15H18N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2C3CCNCC3
InChI
InChI=1S/C15H18N2O2/c1-19-15(18)11-2-3-14-12(8-11)13(9-17-14)10-4-6-16-7-5-10/h2-3,8-10,16-17H,4-7H2,1H3
InChIKey
QFYYRPPVODLLBA-UHFFFAOYSA-N
Compound name
methyl 3-piperidin-4-yl-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

258.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.1
[M+Na]+ 281.12606 171.9
[M+NH4]+ 276.17066 167.6
[M+K]+ 297.10000 167.4
[M-H]- 257.12956 162.0
[M+Na-2H]- 279.11151 165.3
[M]+ 258.13629 162.1
[M]- 258.13739 162.1
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