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

25
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 159.5
[M+Na]+ 281.12606 165.8
[M-H]- 257.12956 161.5
[M+NH4]+ 276.17066 174.8
[M+K]+ 297.10000 160.5
[M+H-H2O]+ 241.13410 151.4
[M+HCOO]- 303.13504 175.2
[M+CH3COO]- 317.15069 169.6
[M+Na-2H]- 279.11151 161.8
[M]+ 258.13629 155.2
[M]- 258.13739 155.2
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