CID 3045611

1-propanamine, n,n-dimethyl-3-((6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C16H25NO
SMILES
CN(C)CCCOC1=CC2=C(CCCCC2)C=C1
InChI
InChI=1S/C16H25NO/c1-17(2)11-6-12-18-16-10-9-14-7-4-3-5-8-15(14)13-16/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
JNOOASOSCKLENU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 157.1
[M+Na]+ 270.18284 166.4
[M+NH4]+ 265.22744 165.5
[M+K]+ 286.15678 160.4
[M-H]- 246.18634 160.6
[M+Na-2H]- 268.16829 162.8
[M]+ 247.19307 159.4
[M]- 247.19417 159.4
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

No patent data available for this compound.