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]+ 278.13063 165.0
[M+Na]+ 300.11257 171.2
[M-H]- 276.11607 172.2
[M+NH4]+ 295.15717 182.4
[M+K]+ 316.08651 166.3
[M+H-H2O]+ 260.12061 158.1
[M+HCOO]- 322.12155 181.9
[M+CH3COO]- 336.13720 204.2
[M+Na-2H]- 298.09802 165.9
[M]+ 277.12280 164.3
[M]- 277.12390 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.