CID 213527

Indole, 3-(2-morpholinoethyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1COCCN1CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2O/c1-2-4-14-13(3-1)12(11-15-14)5-6-16-7-9-17-10-8-16/h1-4,11,15H,5-10H2
InChIKey
OITOJWZZJMQEAB-UHFFFAOYSA-N
Compound name
4-[2-(1H-indol-3-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

230.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 151.5
[M+Na]+ 253.13112 158.0
[M-H]- 229.13462 154.9
[M+NH4]+ 248.17572 167.2
[M+K]+ 269.10506 154.2
[M+H-H2O]+ 213.13916 143.0
[M+HCOO]- 275.14010 168.7
[M+CH3COO]- 289.15575 162.6
[M+Na-2H]- 251.11657 157.1
[M]+ 230.14135 148.8
[M]- 230.14245 148.8
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

patents stripe