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 154.6
[M+Na]+ 254.15153 159.0
[M-H]- 230.15503 159.9
[M+NH4]+ 249.19613 172.2
[M+K]+ 270.12547 156.8
[M+H-H2O]+ 214.15957 145.9
[M+HCOO]- 276.16051 169.2
[M+CH3COO]- 290.17616 165.2
[M+Na-2H]- 252.13698 160.9
[M]+ 231.16176 148.6
[M]- 231.16286 148.6
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.