CID 6338277

6,7,8,9-tetrahydro-5h-benzocyclohepten-5-one o-(2-(dimethylamino)ethyl)oxime hcl hydrate

Structural Information

Molecular Formula
C15H22N2O
SMILES
CN(C)CCO/N=C/1\CCCCC2=CC=CC=C21
InChI
InChI=1S/C15H22N2O/c1-17(2)11-12-18-16-15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9H,4,6,8,10-12H2,1-2H3/b16-15+
InChIKey
MWFMQCUQHGSTDB-FOCLMDBBSA-N
Compound name
N,N-dimethyl-2-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 156.8
[M+Na]+ 269.16244 165.7
[M+NH4]+ 264.20704 165.0
[M+K]+ 285.13638 159.8
[M-H]- 245.16594 160.8
[M+Na-2H]- 267.14789 162.8
[M]+ 246.17267 159.1
[M]- 246.17377 159.1
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.