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 156.1
[M+Na]+ 270.18284 158.7
[M-H]- 246.18634 161.8
[M+NH4]+ 265.22744 173.6
[M+K]+ 286.15678 160.9
[M+H-H2O]+ 230.19088 150.3
[M+HCOO]- 292.19182 176.5
[M+CH3COO]- 306.20747 202.5
[M+Na-2H]- 268.16829 160.5
[M]+ 247.19307 153.7
[M]- 247.19417 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.