CID 200069

5583-16-4

Structural Information

Molecular Formula
C14H18N2O2
SMILES
COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2
InChI
InChI=1S/C14H18N2O2/c1-17-11-7-5-10(6-8-11)13-12-4-2-3-9-16(12)14(15)18-13/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13+/m0/s1
InChIKey
UPGJQOUOERKYFW-QWHCGFSZSA-N
Compound name
(1R,8aS)-1-(4-methoxyphenyl)-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

246.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 155.4
[M+Na]+ 269.12605 161.4
[M-H]- 245.12955 161.7
[M+NH4]+ 264.17065 172.5
[M+K]+ 285.09999 158.9
[M+H-H2O]+ 229.13409 147.7
[M+HCOO]- 291.13503 174.0
[M+CH3COO]- 305.15068 167.0
[M+Na-2H]- 267.11150 158.9
[M]+ 246.13628 152.0
[M]- 246.13738 152.0
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.