CID 146081975

6-(2,2-diethoxyethyl)-1h-indole

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(CC1=CC2=C(C=C1)C=CN2)OCC
InChI
InChI=1S/C14H19NO2/c1-3-16-14(17-4-2)10-11-5-6-12-7-8-15-13(12)9-11/h5-9,14-15H,3-4,10H2,1-2H3
InChIKey
QXVXXBNNEYIKFU-UHFFFAOYSA-N
Compound name
6-(2,2-diethoxyethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.1
[M+Na]+ 256.13081 161.8
[M-H]- 232.13431 155.9
[M+NH4]+ 251.17541 173.0
[M+K]+ 272.10475 158.4
[M+H-H2O]+ 216.13885 147.2
[M+HCOO]- 278.13979 175.7
[M+CH3COO]- 292.15544 189.5
[M+Na-2H]- 254.11626 158.8
[M]+ 233.14104 158.0
[M]- 233.14214 158.0
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.