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]+ 218.15395 150.4
[M+Na]+ 240.13589 154.0
[M-H]- 216.13939 154.1
[M+NH4]+ 235.18049 167.5
[M+K]+ 256.10983 151.0
[M+H-H2O]+ 200.14393 142.0
[M+HCOO]- 262.14487 163.8
[M+CH3COO]- 276.16052 160.4
[M+Na-2H]- 238.12134 157.5
[M]+ 217.14612 141.9
[M]- 217.14722 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.