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 154.9
[M+Na]+ 269.16244 157.9
[M-H]- 245.16594 162.1
[M+NH4]+ 264.20704 172.8
[M+K]+ 285.13638 160.8
[M+H-H2O]+ 229.17048 148.4
[M+HCOO]- 291.17142 178.2
[M+CH3COO]- 305.18707 205.4
[M+Na-2H]- 267.14789 160.6
[M]+ 246.17267 152.5
[M]- 246.17377 152.5
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.