CID 38489

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

Structural Information

Molecular Formula
C15H23NO
SMILES
CN(C)CCOC1CCCCC2=CC=CC=C12
InChI
InChI=1S/C15H23NO/c1-16(2)11-12-17-15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,15H,4,6,8,10-12H2,1-2H3
InChIKey
DCEKGEWILPCXCE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 151.6
[M+Na]+ 256.167178 154.6
[M-H]- 232.170684 157.5
[M+NH4]+ 251.211783 169.7
[M+K]+ 272.141118 157.1
[M+H-H2O]+ 216.175220 146.0
[M+HCOO]- 278.176161 172.3
[M+CH3COO]- 292.191811 199.7
[M+Na-2H]- 254.152626 156.5
[M]+ 233.17741142 148.8
[M]- 233.17850858 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.