CID 66927758

3-phenoxy-8-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CC2CC(CC1N2)OC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2
InChIKey
HQWOOKZKFBMBCD-UHFFFAOYSA-N
Compound name
3-phenoxy-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

203.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.3
[M+Na]+ 226.12023 150.4
[M-H]- 202.12373 147.7
[M+NH4]+ 221.16483 165.3
[M+K]+ 242.09417 146.3
[M+H-H2O]+ 186.12827 138.3
[M+HCOO]- 248.12921 162.1
[M+CH3COO]- 262.14486 156.5
[M+Na-2H]- 224.10568 150.0
[M]+ 203.13046 140.2
[M]- 203.13156 140.2
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

patents stripe