CID 56843575

2h-1,4-benzoxazine, octahydro-8a-phenyl-, (e)-

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]+ 218.153946 150.4
[M+Na]+ 240.135888 154.0
[M-H]- 216.139394 154.1
[M+NH4]+ 235.180493 167.5
[M+K]+ 256.109828 151.0
[M+H-H2O]+ 200.143930 142.0
[M+HCOO]- 262.144871 163.8
[M+CH3COO]- 276.160521 160.4
[M+Na-2H]- 238.121336 157.5
[M]+ 217.14612142 141.9
[M]- 217.14721858 141.9
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.