CID 125017

Desvenlafaxine

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

445
References

11192
Patents

263.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.6
[M+Na]+ 286.17776 174.4
[M+NH4]+ 281.22236 174.0
[M+K]+ 302.15170 166.7
[M-H]- 262.18126 168.4
[M+Na-2H]- 284.16321 171.9
[M]+ 263.18799 167.0
[M]- 263.18909 167.0
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