CID 3038909

Indole, 1-(1-hexyloxyethyl)-

Structural Information

Molecular Formula
C16H23NO
SMILES
CCCCCCOC(C)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C16H23NO/c1-3-4-5-8-13-18-14(2)17-12-11-15-9-6-7-10-16(15)17/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKey
IXDGVCCNTADUDF-UHFFFAOYSA-N
Compound name
1-(1-hexoxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 158.9
[M+Na]+ 268.16718 171.7
[M+NH4]+ 263.21178 167.6
[M+K]+ 284.14112 165.2
[M-H]- 244.17068 161.0
[M+Na-2H]- 266.15263 164.8
[M]+ 245.17741 161.4
[M]- 245.17851 161.4
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.