CID 3080023

126921-47-9

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1COCCN1CCC2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C15H18N2O/c1-2-4-14-13(3-1)5-7-16-15(14)6-8-17-9-11-18-12-10-17/h1-5,7H,6,8-12H2
InChIKey
RFRSPLDAHWHJGQ-UHFFFAOYSA-N
Compound name
4-(2-isoquinolin-1-ylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.9
[M+Na]+ 265.13112 161.4
[M-H]- 241.13462 160.0
[M+NH4]+ 260.17572 169.6
[M+K]+ 281.10506 158.2
[M+H-H2O]+ 225.13916 145.9
[M+HCOO]- 287.14010 171.9
[M+CH3COO]- 301.15575 166.4
[M+Na-2H]- 263.11657 163.3
[M]+ 242.14135 152.9
[M]- 242.14245 152.9
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.