CID 56642542

Methyl 1-pentyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C15H19NO2/c1-3-4-7-10-16-11-13(15(17)18-2)12-8-5-6-9-14(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKey
FMSUKWLGFFSMTP-UHFFFAOYSA-N
Compound name
methyl 1-pentylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 157.2
[M+Na]+ 268.130808 166.3
[M-H]- 244.134314 160.7
[M+NH4]+ 263.175413 176.7
[M+K]+ 284.104748 162.9
[M+H-H2O]+ 228.138850 150.3
[M+HCOO]- 290.139791 180.2
[M+CH3COO]- 304.155441 194.7
[M+Na-2H]- 266.116256 161.1
[M]+ 245.14104142 163.0
[M]- 245.14213858 163.0
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.