CID 3501942

149289-30-5

Structural Information

Molecular Formula
C16H25NO2
SMILES
CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
InChI
InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKey
MKAFOJAJJMUXLW-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

540
Patents

263.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.1
[M+Na]+ 286.17776 167.0
[M-H]- 262.18126 168.2
[M+NH4]+ 281.22236 181.2
[M+K]+ 302.15170 164.3
[M+H-H2O]+ 246.18580 157.0
[M+HCOO]- 308.18674 182.5
[M+CH3COO]- 322.20239 197.0
[M+Na-2H]- 284.16321 167.2
[M]+ 263.18799 160.0
[M]- 263.18909 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe