CID 3058497

Brn 5574694

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CN=C1N2CCCC[C@@H]2[C@@H](O1)C3=CC(=CC=C3)OC
InChI
InChI=1S/C15H20N2O2/c1-16-15-17-9-4-3-8-13(17)14(19-15)11-6-5-7-12(10-11)18-2/h5-7,10,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKey
BVJKYMZBKXVVTA-KGLIPLIRSA-N
Compound name
(1S,8aR)-1-(3-methoxyphenyl)-N-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 160.0
[M+Na]+ 283.141688 166.1
[M-H]- 259.145194 167.5
[M+NH4]+ 278.186293 177.3
[M+K]+ 299.115628 164.2
[M+H-H2O]+ 243.149730 151.9
[M+HCOO]- 305.150671 179.8
[M+CH3COO]- 319.166321 200.1
[M+Na-2H]- 281.127136 163.3
[M]+ 260.15192142 158.7
[M]- 260.15301858 158.7
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

No patent data available for this compound.