CID 44706

63766-03-0

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCC1(CCCC2=C1C=C(C=C2)OC)CCN(C)C
InChI
InChI=1S/C18H29NO/c1-5-10-18(12-13-19(2)3)11-6-7-15-8-9-16(20-4)14-17(15)18/h8-9,14H,5-7,10-13H2,1-4H3
InChIKey
KQKADBBFPXQYBT-UHFFFAOYSA-N
Compound name
2-(7-methoxy-1-propyl-3,4-dihydro-2H-naphthalen-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 168.7
[M+Na]+ 298.214118 173.6
[M-H]- 274.217624 173.5
[M+NH4]+ 293.258723 188.6
[M+K]+ 314.188058 171.3
[M+H-H2O]+ 258.222160 161.6
[M+HCOO]- 320.223101 188.9
[M+CH3COO]- 334.238751 208.6
[M+Na-2H]- 296.199566 172.5
[M]+ 275.22435142 170.6
[M]- 275.22544858 170.6
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

No patent data available for this compound.