CID 3038910

1-(1-(heptyloxy)ethyl)-1h-indole

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCCCCCOC(C)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C17H25NO/c1-3-4-5-6-9-14-19-15(2)18-13-12-16-10-7-8-11-17(16)18/h7-8,10-13,15H,3-6,9,14H2,1-2H3
InChIKey
XJIFFXMDXQSXMJ-UHFFFAOYSA-N
Compound name
1-(1-heptoxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.9
[M+Na]+ 282.182818 171.8
[M-H]- 258.186324 167.5
[M+NH4]+ 277.227423 183.5
[M+K]+ 298.156758 168.0
[M+H-H2O]+ 242.190860 157.3
[M+HCOO]- 304.191801 186.7
[M+CH3COO]- 318.207451 199.1
[M+Na-2H]- 280.168266 168.3
[M]+ 259.19305142 170.2
[M]- 259.19414858 170.2
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

No patent data available for this compound.