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 161.7
[M+Na]+ 287.09216 169.1
[M-H]- 263.09566 168.9
[M+NH4]+ 282.13676 179.7
[M+K]+ 303.06610 165.1
[M+H-H2O]+ 247.10020 154.1
[M+HCOO]- 309.10114 176.8
[M+CH3COO]- 323.11679 173.4
[M+Na-2H]- 285.07761 164.6
[M]+ 264.10239 160.6
[M]- 264.10349 160.6
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.