CID 91666313

Chembl4757869

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1=C(C(CCC1)(C)C)COC2=CC=CC(=C2)[C@@H](CCN)O
InChI
InChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1
InChIKey
IMAIQFBFQHDLHJ-GOSISDBHSA-N
Compound name
(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.21982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.1
[M+Na]+ 326.20904 180.5
[M-H]- 302.21254 180.3
[M+NH4]+ 321.25364 192.0
[M+K]+ 342.18298 176.7
[M+H-H2O]+ 286.21708 168.9
[M+HCOO]- 348.21802 194.1
[M+CH3COO]- 362.23367 207.5
[M+Na-2H]- 324.19449 176.1
[M]+ 303.21927 174.2
[M]- 303.22037 174.2
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

No patent data available for this compound.