CID 3056577

Brn 2849467

Structural Information

Molecular Formula
C16H25NO
SMILES
CN(C)CC1CCCCC1C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H25NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3
InChIKey
VTXTVLAQPBIPPF-UHFFFAOYSA-N
Compound name
1-[2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

247.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.1
[M+Na]+ 270.182838 163.9
[M-H]- 246.186344 167.1
[M+NH4]+ 265.227443 177.7
[M+K]+ 286.156778 162.1
[M+H-H2O]+ 230.190880 152.2
[M+HCOO]- 292.191821 181.3
[M+CH3COO]- 306.207471 201.7
[M+Na-2H]- 268.168286 162.3
[M]+ 247.19307142 158.3
[M]- 247.19416858 158.3
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

patents stripe