CID 119478

Methylecgonidine

Structural Information

Molecular Formula
C10H15NO2
SMILES
CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC
InChI
InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKey
MPSNEAHFGOEKBI-VXNVDRBHSA-N
Compound name
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

56
References

141
Patents

181.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.6
[M+Na]+ 204.09950 149.7
[M+NH4]+ 199.14410 148.2
[M+K]+ 220.07344 146.0
[M-H]- 180.10300 139.5
[M+Na-2H]- 202.08495 141.6
[M]+ 181.10973 140.7
[M]- 181.11083 140.7
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