CID 71757049

6-methoxy-octahydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC1CCC2C(C1)NCCO2
InChI
InChI=1S/C9H17NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h7-10H,2-6H2,1H3
InChIKey
HQIXYPVUXMMMRA-UHFFFAOYSA-N
Compound name
6-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.2
[M+Na]+ 194.11515 148.6
[M+NH4]+ 189.15975 147.1
[M+K]+ 210.08909 143.0
[M-H]- 170.11865 140.9
[M+Na-2H]- 192.10060 141.3
[M]+ 171.12538 140.2
[M]- 171.12648 140.2
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

No patent data available for this compound.