CID 56796

3,4-dihydro-4-methyl-2-(morpholinomethyl)-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC1CC(C(=O)C2=CC=CC=C12)CN3CCOCC3
InChI
InChI=1S/C16H21NO2/c1-12-10-13(11-17-6-8-19-9-7-17)16(18)15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3
InChIKey
AYAOTQYRTCRBGR-UHFFFAOYSA-N
Compound name
4-methyl-2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 161.0
[M+Na]+ 282.146448 166.1
[M-H]- 258.149954 166.5
[M+NH4]+ 277.191053 175.8
[M+K]+ 298.120388 163.3
[M+H-H2O]+ 242.154490 152.3
[M+HCOO]- 304.155431 175.5
[M+CH3COO]- 318.171081 171.4
[M+Na-2H]- 280.131896 164.5
[M]+ 259.15668142 156.6
[M]- 259.15777858 156.6
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.