CID 56843575

Brn 5263088

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CC[C@@]2([C@@H](C1)NCCO2)C3=CC=CC=C3
InChI
InChI=1S/C14H19NO/c1-2-6-12(7-3-1)14-9-5-4-8-13(14)15-10-11-16-14/h1-3,6-7,13,15H,4-5,8-11H2/t13-,14+/m1/s1
InChIKey
WUQAXWFHUPEDCH-KGLIPLIRSA-N
Compound name
(4aR,8aS)-8a-phenyl-2,3,4,4a,5,6,7,8-octahydrobenzo[b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 152.7
[M+Na]+ 240.13589 165.4
[M+NH4]+ 235.18049 164.0
[M+K]+ 256.10983 155.6
[M-H]- 216.13939 158.5
[M+Na-2H]- 238.12134 160.7
[M]+ 217.14612 156.3
[M]- 217.14722 156.3
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.