CID 3056651

Brn 5272684

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C1CN2CCC1C(C2)NCC(COC3=CC=CC=C3)O
InChI
InChI=1S/C16H24N2O2/c19-14(12-20-15-4-2-1-3-5-15)10-17-16-11-18-8-6-13(16)7-9-18/h1-5,13-14,16-17,19H,6-12H2
InChIKey
YWSRPMTTXXPWTC-UHFFFAOYSA-N
Compound name
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 160.2
[M+Na]+ 299.17300 160.7
[M-H]- 275.17650 156.1
[M+NH4]+ 294.21760 177.7
[M+K]+ 315.14694 157.6
[M+H-H2O]+ 259.18104 152.9
[M+HCOO]- 321.18198 169.1
[M+CH3COO]- 335.19763 167.5
[M+Na-2H]- 297.15845 169.8
[M]+ 276.18323 159.5
[M]- 276.18433 159.5
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