CID 3039197

(+)-trans-3-methylimino-hexahydro-4-phenyl-3h-oxazolo(3,4-a)pyridine, hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CN=C1N2CCCC[C@@H]2[C@@H](O1)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c1-15-14-16-10-6-5-9-12(16)13(17-14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13+/m1/s1
InChIKey
ABJOWLQSICHXTQ-OLZOCXBDSA-N
Compound name
(1S,8aR)-N-methyl-1-phenyl-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

230.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.5
[M+Na]+ 253.13112 165.6
[M+NH4]+ 248.17572 163.1
[M+K]+ 269.10506 159.9
[M-H]- 229.13462 159.7
[M+Na-2H]- 251.11657 159.5
[M]+ 230.14135 156.9
[M]- 230.14245 156.9
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.