CID 9991554

22204-89-3

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCN(CC)CCC1=CNC2=C1C(=CC=C2)O
InChI
InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
InChIKey
OHHYMKDBKJPILO-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1H-indol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

313
Patents

232.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 154.2
[M+Na]+ 255.146778 162.1
[M-H]- 231.150284 156.4
[M+NH4]+ 250.191383 173.2
[M+K]+ 271.120718 158.1
[M+H-H2O]+ 215.154820 147.4
[M+HCOO]- 277.155761 176.7
[M+CH3COO]- 291.171411 193.5
[M+Na-2H]- 253.132226 158.7
[M]+ 232.15701142 156.4
[M]- 232.15810858 156.4
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