CID 9813414

Faxeladol

Structural Information

Molecular Formula
C15H23NO
SMILES
CN(C)C[C@@H]1CCCC[C@H]1C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1
InChIKey
JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Compound name
3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

838
Patents

233.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 155.9
[M+Na]+ 256.167178 159.6
[M-H]- 232.170684 161.7
[M+NH4]+ 251.211783 173.3
[M+K]+ 272.141118 157.2
[M+H-H2O]+ 216.175220 148.5
[M+HCOO]- 278.176161 175.8
[M+CH3COO]- 292.191811 196.1
[M+Na-2H]- 254.152626 158.1
[M]+ 233.17741142 151.9
[M]- 233.17850858 151.9
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