CID 22013069

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

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(CN1C=CC2=CC=CC=C21)OCC
InChI
InChI=1S/C14H19NO2/c1-3-16-14(17-4-2)11-15-10-9-12-7-5-6-8-13(12)15/h5-10,14H,3-4,11H2,1-2H3
InChIKey
YUEGZKLHHPSXQY-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

233.14159 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.8
[M+Na]+ 256.13081 162.0
[M-H]- 232.13431 157.0
[M+NH4]+ 251.17541 173.4
[M+K]+ 272.10475 159.4
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 176.9
[M+CH3COO]- 292.15544 192.1
[M+Na-2H]- 254.11626 159.0
[M]+ 233.14104 159.6
[M]- 233.14214 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe