CID 92852963

104758-04-5

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC2=C(C=C(C=C2)O)[C@H]3[C@@H]1NCCO3
InChI
InChI=1S/C12H15NO2/c14-9-3-1-8-2-4-11-12(10(8)7-9)15-6-5-13-11/h1,3,7,11-14H,2,4-6H2/t11-,12+/m1/s1
InChIKey
RCTXZLWJOZFFFZ-NEPJUHHUSA-N
Compound name
(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 142.9
[M+Na]+ 228.09950 148.8
[M-H]- 204.10300 144.0
[M+NH4]+ 223.14410 159.8
[M+K]+ 244.07344 145.5
[M+H-H2O]+ 188.10754 136.1
[M+HCOO]- 250.10848 155.5
[M+CH3COO]- 264.12413 153.6
[M+Na-2H]- 226.08495 150.3
[M]+ 205.10973 136.8
[M]- 205.11083 136.8
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.