CID 51636

N-643

Structural Information

Molecular Formula
C14H19NO2
SMILES
CN(C)CC1CCC2=C(C1=O)C=CC(=C2)OC
InChI
InChI=1S/C14H19NO2/c1-15(2)9-11-5-4-10-8-12(17-3)6-7-13(10)14(11)16/h6-8,11H,4-5,9H2,1-3H3
InChIKey
SEAVJROPZNGJBT-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.5
[M+Na]+ 256.13081 164.8
[M+NH4]+ 251.17541 161.5
[M+K]+ 272.10475 157.8
[M-H]- 232.13431 156.1
[M+Na-2H]- 254.11626 158.1
[M]+ 233.14104 155.2
[M]- 233.14214 155.2
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

patents stripe