CID 56841499

Brn 5266504

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1CCO[C@]2([C@H]1CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C15H21NO/c1-16-11-12-17-15(10-6-5-9-14(15)16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,15+/m1/s1
InChIKey
ZMSCDCIMTRGAAG-CABCVRRESA-N
Compound name
(4aR,8aS)-4-methyl-8a-phenyl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 156.1
[M+Na]+ 254.15153 169.6
[M+NH4]+ 249.19613 167.7
[M+K]+ 270.12547 159.5
[M-H]- 230.15503 162.6
[M+Na-2H]- 252.13698 164.3
[M]+ 231.16176 160.2
[M]- 231.16286 160.2
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.