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]+ 246.185236 160.2
[M+Na]+ 268.167178 167.5
[M-H]- 244.170684 163.0
[M+NH4]+ 263.211783 179.3
[M+K]+ 284.141118 163.9
[M+H-H2O]+ 228.175220 152.8
[M+HCOO]- 290.176161 182.4
[M+CH3COO]- 304.191811 196.1
[M+Na-2H]- 266.152626 164.1
[M]+ 245.17741142 165.2
[M]- 245.17850858 165.2
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.