CID 3079742

126356-33-0

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1(CC2=CC=CC=C2C(=N1)CCN3CCOCC3)C
InChI
InChI=1S/C17H24N2O/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19/h3-6H,7-13H2,1-2H3
InChIKey
UFFBANIKBVWTQU-UHFFFAOYSA-N
Compound name
4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 167.2
[M+Na]+ 295.178088 172.7
[M-H]- 271.181594 171.3
[M+NH4]+ 290.222693 182.0
[M+K]+ 311.152028 169.6
[M+H-H2O]+ 255.186130 157.2
[M+HCOO]- 317.187071 181.1
[M+CH3COO]- 331.202721 177.0
[M+Na-2H]- 293.163536 172.6
[M]+ 272.18832142 164.2
[M]- 272.18941858 164.2
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.