CID 3056582

Brn 2853478

Structural Information

Molecular Formula
C15H22FNO
SMILES
CN(C)CC1CCCCC1(C2=CC(=CC=C2)F)O
InChI
InChI=1S/C15H22FNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKey
RZJFWHCRPZTIQJ-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.16855 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17583 158.7
[M+Na]+ 274.15777 163.6
[M-H]- 250.16127 163.5
[M+NH4]+ 269.20237 177.4
[M+K]+ 290.13171 160.9
[M+H-H2O]+ 234.16581 151.0
[M+HCOO]- 296.16675 177.6
[M+CH3COO]- 310.18240 198.3
[M+Na-2H]- 272.14322 161.4
[M]+ 251.16800 153.9
[M]- 251.16910 153.9
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