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

23
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 151.9
[M+Na]+ 256.13081 158.8
[M-H]- 232.13431 157.6
[M+NH4]+ 251.17541 171.6
[M+K]+ 272.10475 157.2
[M+H-H2O]+ 216.13885 145.2
[M+HCOO]- 278.13979 173.9
[M+CH3COO]- 292.15544 199.5
[M+Na-2H]- 254.11626 156.3
[M]+ 233.14104 153.4
[M]- 233.14214 153.4
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