CID 89326

N-1159 hydrochloride

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CN1C2CCC1CC(C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H18ClNO/c1-16-11-4-5-12(16)9-14(8-11)17-13-6-2-10(15)3-7-13/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3
InChIKey
XCRRAPDJJAEYAZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.1077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 155.0
[M+Na]+ 274.09692 168.5
[M+NH4]+ 269.14152 165.5
[M+K]+ 290.07086 161.6
[M-H]- 250.10042 158.6
[M+Na-2H]- 272.08237 160.2
[M]+ 251.10715 158.3
[M]- 251.10825 158.3
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