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]+ 260.20088 164.9
[M+Na]+ 282.18282 171.8
[M-H]- 258.18632 167.5
[M+NH4]+ 277.22742 183.5
[M+K]+ 298.15676 168.0
[M+H-H2O]+ 242.19086 157.3
[M+HCOO]- 304.19180 186.7
[M+CH3COO]- 318.20745 199.1
[M+Na-2H]- 280.16827 168.3
[M]+ 259.19305 170.2
[M]- 259.19415 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.