CID 6338278

6,7,8,9-tetrahydro-5h-benzocyclohepten-5-one o-(3-alpha-tropanyl)oxime hydrochloride hydrate

Structural Information

Molecular Formula
C19H26N2O
SMILES
CN1C2CCC1CC(C2)O/N=C/3\CCCCC4=CC=CC=C43
InChI
InChI=1S/C19H26N2O/c1-21-15-10-11-16(21)13-17(12-15)22-20-19-9-5-3-7-14-6-2-4-8-18(14)19/h2,4,6,8,15-17H,3,5,7,9-13H2,1H3/b20-19+
InChIKey
BMDOCODTUYXWAL-FMQUCBEESA-N
Compound name
(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 172.8
[M+Na]+ 321.19372 181.6
[M+NH4]+ 316.23832 181.7
[M+K]+ 337.16766 176.3
[M-H]- 297.19722 176.7
[M+Na-2H]- 319.17917 175.9
[M]+ 298.20395 175.1
[M]- 298.20505 175.1
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.