CID 43519

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

Structural Information

Molecular Formula
C15H23NO
SMILES
CN(C)CCOC1=CC2=C(CCCCC2)C=C1
InChI
InChI=1S/C15H23NO/c1-16(2)10-11-17-15-9-8-13-6-4-3-5-7-14(13)12-15/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
FKJKCJCDZBKYBL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 151.6
[M+Na]+ 256.16718 154.6
[M-H]- 232.17068 157.5
[M+NH4]+ 251.21178 169.7
[M+K]+ 272.14112 157.1
[M+H-H2O]+ 216.17522 146.0
[M+HCOO]- 278.17616 172.3
[M+CH3COO]- 292.19181 199.7
[M+Na-2H]- 254.15263 156.5
[M]+ 233.17741 148.8
[M]- 233.17851 148.8
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.