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

26
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 151.9
[M+Na]+ 256.130808 158.8
[M-H]- 232.134314 157.6
[M+NH4]+ 251.175413 171.6
[M+K]+ 272.104748 157.2
[M+H-H2O]+ 216.138850 145.2
[M+HCOO]- 278.139791 173.9
[M+CH3COO]- 292.155441 199.5
[M+Na-2H]- 254.116256 156.3
[M]+ 233.14104142 153.4
[M]- 233.14213858 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