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]+ 289.227426 173.4
[M+Na]+ 311.209368 176.1
[M-H]- 287.212874 178.3
[M+NH4]+ 306.253973 187.2
[M+K]+ 327.183308 172.3
[M+H-H2O]+ 271.217410 162.5
[M+HCOO]- 333.218351 186.5
[M+CH3COO]- 347.234001 181.8
[M+Na-2H]- 309.194816 174.9
[M]+ 288.21960142 165.8
[M]- 288.22069858 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.