CID 3058498

75343-71-4

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CN=C1N2CCCC[C@@H]2[C@H](O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H17ClN2O/c1-16-14-17-9-3-2-4-12(17)13(18-14)10-5-7-11(15)8-6-10/h5-8,12-13H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKey
HYDNWJGWWLQFEH-CHWSQXEVSA-N
Compound name
(1R,8aR)-1-(4-chlorophenyl)-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

264.10294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 159.0
[M+Na]+ 287.09216 172.2
[M+NH4]+ 282.13676 168.7
[M+K]+ 303.06610 165.8
[M-H]- 263.09566 165.2
[M+Na-2H]- 285.07761 164.8
[M]+ 264.10239 162.9
[M]- 264.10349 162.9
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.