CID 716098

Loline

Structural Information

Molecular Formula
C8H14N2O
SMILES
CN[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
InChI
InChI=1S/C8H14N2O/c1-9-7-6-4-10-3-2-5(11-6)8(7)10/h5-9H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKey
OPMNROCQHKJDAQ-FKSUSPILSA-N
Compound name
(1R,3S,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

672
Patents

154.11061 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 132.1
[M+Na]+ 177.09983 139.4
[M-H]- 153.10333 134.6
[M+NH4]+ 172.14443 158.4
[M+K]+ 193.07377 139.2
[M+H-H2O]+ 137.10787 128.0
[M+HCOO]- 199.10881 151.9
[M+CH3COO]- 213.12446 145.8
[M+Na-2H]- 175.08528 136.3
[M]+ 154.11006 132.2
[M]- 154.11116 132.2
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