CID 23811

N-671

Structural Information

Molecular Formula
C15H19NO2
SMILES
C1CC2=CC=CC=C2C(=O)C1CN3CCOCC3
InChI
InChI=1S/C15H19NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-4,13H,5-11H2
InChIKey
ZSTAKEHYXGXVEV-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.1
[M+Na]+ 268.13081 160.6
[M-H]- 244.13431 161.4
[M+NH4]+ 263.17541 171.2
[M+K]+ 284.10475 158.1
[M+H-H2O]+ 228.13885 147.3
[M+HCOO]- 290.13979 171.0
[M+CH3COO]- 304.15544 166.6
[M+Na-2H]- 266.11626 160.9
[M]+ 245.14104 151.0
[M]- 245.14214 151.0
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