CID 3058492

Trans-1-(m-chlorophenyl)-3-iminohexahydro-3h-oxazolo(3,4-a)pyridine hydrobromide

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H15ClN2O/c14-10-5-3-4-9(8-10)12-11-6-1-2-7-16(11)13(15)17-12/h3-5,8,11-12,15H,1-2,6-7H2/t11-,12-/m1/s1
InChIKey
WTDHXMRJXNNGEL-VXGBXAGGSA-N
Compound name
(1R,8aR)-1-(3-chlorophenyl)-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

250.0873 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 156.8
[M+Na]+ 273.07652 164.2
[M-H]- 249.08002 162.9
[M+NH4]+ 268.12112 174.6
[M+K]+ 289.05046 159.6
[M+H-H2O]+ 233.08456 149.8
[M+HCOO]- 295.08550 170.8
[M+CH3COO]- 309.10115 168.4
[M+Na-2H]- 271.06197 160.0
[M]+ 250.08675 153.7
[M]- 250.08785 153.7
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.