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

91
Patents

247.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.1
[M+Na]+ 270.18284 163.9
[M-H]- 246.18634 167.1
[M+NH4]+ 265.22744 177.7
[M+K]+ 286.15678 162.1
[M+H-H2O]+ 230.19088 152.2
[M+HCOO]- 292.19182 181.3
[M+CH3COO]- 306.20747 201.7
[M+Na-2H]- 268.16829 162.3
[M]+ 247.19307 158.3
[M]- 247.19417 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