CID 210750

21602-39-1

Structural Information

Molecular Formula
C18H28N2O
SMILES
CN1CCN(CC1)C2(CCCCC2)C3=CC=CC=C3OC
InChI
InChI=1S/C18H28N2O/c1-19-12-14-20(15-13-19)18(10-6-3-7-11-18)16-8-4-5-9-17(16)21-2/h4-5,8-9H,3,6-7,10-15H2,1-2H3
InChIKey
KOAVKNNTCSBXOB-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxyphenyl)cyclohexyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.4
[M+Na]+ 311.20937 176.1
[M-H]- 287.21287 178.3
[M+NH4]+ 306.25397 187.2
[M+K]+ 327.18331 172.3
[M+H-H2O]+ 271.21741 162.5
[M+HCOO]- 333.21835 186.5
[M+CH3COO]- 347.23400 181.8
[M+Na-2H]- 309.19482 174.9
[M]+ 288.21960 165.8
[M]- 288.22070 165.8
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.