CID 3381424

(6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthylmethyl)trimethylammonium iodide

Structural Information

Molecular Formula
C15H22NO2
SMILES
C[N+](C)(C)CC1CCC2=C(C1=O)C=CC(=C2)OC
InChI
InChI=1S/C15H22NO2/c1-16(2,3)10-12-6-5-11-9-13(18-4)7-8-14(11)15(12)17/h7-9,12H,5-6,10H2,1-4H3/q+1
InChIKey
ZCBYWOSWMLXSKE-UHFFFAOYSA-N
Compound name
(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.16505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17233 155.5
[M+Na]+ 271.15427 162.4
[M-H]- 247.15777 161.4
[M+NH4]+ 266.19887 174.7
[M+K]+ 287.12821 154.8
[M+H-H2O]+ 231.16231 152.1
[M+HCOO]- 293.16325 176.1
[M+CH3COO]- 307.17890 195.2
[M+Na-2H]- 269.13972 163.8
[M]+ 248.16450 155.7
[M]- 248.16560 155.7
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