CID 124518894

Methyl 1-(cyclohexylmethyl)indole-3-carboxylate

Structural Information

Molecular Formula
C17H21NO2
SMILES
COC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3
InChI
InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKey
KNWOMWABRWXHET-UHFFFAOYSA-N
Compound name
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 163.9
[M+Na]+ 294.146448 170.2
[M-H]- 270.149954 169.6
[M+NH4]+ 289.191053 181.5
[M+K]+ 310.120388 166.3
[M+H-H2O]+ 254.154490 155.8
[M+HCOO]- 316.155431 183.3
[M+CH3COO]- 330.171081 197.6
[M+Na-2H]- 292.131896 166.0
[M]+ 271.15668142 163.3
[M]- 271.15777858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.