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]+ 248.200896 156.1
[M+Na]+ 270.182838 158.7
[M-H]- 246.186344 161.8
[M+NH4]+ 265.227443 173.6
[M+K]+ 286.156778 160.9
[M+H-H2O]+ 230.190880 150.3
[M+HCOO]- 292.191821 176.5
[M+CH3COO]- 306.207471 202.5
[M+Na-2H]- 268.168286 160.5
[M]+ 247.19307142 153.7
[M]- 247.19416858 153.7
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.