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]+ 220.133206 147.3
[M+Na]+ 242.115148 153.1
[M-H]- 218.118654 149.5
[M+NH4]+ 237.159753 164.3
[M+K]+ 258.089088 150.5
[M+H-H2O]+ 202.123190 139.9
[M+HCOO]- 264.124131 161.0
[M+CH3COO]- 278.139781 158.2
[M+Na-2H]- 240.100596 154.5
[M]+ 219.12538142 143.2
[M]- 219.12647858 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