CID 3058494

Cis-3-methylimino-1-(m-tolyl)hexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1=CC(=CC=C1)[C@H]2[C@H]3CCCCN3C(=NC)O2
InChI
InChI=1S/C15H20N2O/c1-11-6-5-7-12(10-11)14-13-8-3-4-9-17(13)15(16-2)18-14/h5-7,10,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKey
SCNNXGVJNHRCCK-KGLIPLIRSA-N
Compound name
(1S,8aR)-N-methyl-1-(3-methylphenyl)-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

244.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.8
[M+Na]+ 267.14678 170.0
[M+NH4]+ 262.19138 167.2
[M+K]+ 283.12072 164.3
[M-H]- 243.15028 164.0
[M+Na-2H]- 265.13223 163.2
[M]+ 244.15701 161.2
[M]- 244.15811 161.2
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.