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 171.5
[M+Na]+ 321.19372 174.7
[M-H]- 297.19722 178.1
[M+NH4]+ 316.23832 188.8
[M+K]+ 337.16766 172.8
[M+H-H2O]+ 281.20176 164.0
[M+HCOO]- 343.20270 186.9
[M+CH3COO]- 357.21835 180.7
[M+Na-2H]- 319.17917 173.2
[M]+ 298.20395 164.4
[M]- 298.20505 164.4
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.