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 160.2
[M+Na]+ 268.16718 167.5
[M-H]- 244.17068 163.0
[M+NH4]+ 263.21178 179.3
[M+K]+ 284.14112 163.9
[M+H-H2O]+ 228.17522 152.8
[M+HCOO]- 290.17616 182.4
[M+CH3COO]- 304.19181 196.1
[M+Na-2H]- 266.15263 164.1
[M]+ 245.17741 165.2
[M]- 245.17851 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.