CID 13162212

8-methoxy-2h,3h,4h,4ah,5h,6h,10bh-naphtho[1,2-b][1,4]oxazine

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=CC2=C(C=C1)C3C(CC2)NCCO3
InChI
InChI=1S/C13H17NO2/c1-15-10-3-4-11-9(8-10)2-5-12-13(11)16-7-6-14-12/h3-4,8,12-14H,2,5-7H2,1H3
InChIKey
YQSJWXYFWHZSEU-UHFFFAOYSA-N
Compound name
8-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 147.3
[M+Na]+ 242.11515 153.1
[M-H]- 218.11865 149.5
[M+NH4]+ 237.15975 164.3
[M+K]+ 258.08909 150.5
[M+H-H2O]+ 202.12319 139.9
[M+HCOO]- 264.12413 161.0
[M+CH3COO]- 278.13978 158.2
[M+Na-2H]- 240.10060 154.5
[M]+ 219.12538 143.2
[M]- 219.12648 143.2
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

patents stripe