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
8
Annotation Hits

447
References

10639
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 164.4
[M+Na]+ 286.17776 167.0
[M-H]- 262.18126 168.6
[M+NH4]+ 281.22236 181.4
[M+K]+ 302.15170 164.8
[M+H-H2O]+ 246.18580 157.5
[M+HCOO]- 308.18674 181.7
[M+CH3COO]- 322.20239 197.9
[M+Na-2H]- 284.16321 166.2
[M]+ 263.18799 159.6
[M]- 263.18909 159.6
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.