CID 200062

5583-02-8

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1CCN2[C@@H](C1)[C@H](OC2=N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H15ClN2O/c14-10-6-4-9(5-7-10)12-11-3-1-2-8-16(11)13(15)17-12/h4-7,11-12,15H,1-3,8H2/t11-,12+/m0/s1
InChIKey
DXTLMQQPKGLPMB-NWDGAFQWSA-N
Compound name
(1R,8aS)-1-(4-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 154.6
[M+Na]+ 273.07652 167.5
[M+NH4]+ 268.12112 164.2
[M+K]+ 289.05046 161.6
[M-H]- 249.08002 160.4
[M+Na-2H]- 271.06197 160.1
[M]+ 250.08675 158.3
[M]- 250.08785 158.3
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.