CID 5927659

Nsc670686

Structural Information

Molecular Formula
C16H20ClNO
SMILES
CN(C)CC1CCC/C(=C\C2=CC=C(C=C2)Cl)/C1=O
InChI
InChI=1S/C16H20ClNO/c1-18(2)11-14-5-3-4-13(16(14)19)10-12-6-8-15(17)9-7-12/h6-10,14H,3-5,11H2,1-2H3/b13-10+
InChIKey
FJZAXHOHOIQEFL-JLHYYAGUSA-N
Compound name
(2E)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.130626 165.0
[M+Na]+ 300.112568 171.2
[M-H]- 276.116074 172.2
[M+NH4]+ 295.157173 182.4
[M+K]+ 316.086508 166.3
[M+H-H2O]+ 260.120610 158.1
[M+HCOO]- 322.121551 181.9
[M+CH3COO]- 336.137201 204.2
[M+Na-2H]- 298.098016 165.9
[M]+ 277.12280142 164.3
[M]- 277.12389858 164.3
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.