CID 84620919

7-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(CNCC2=C(O1)C=CC(=C2)OC)C
InChI
InChI=1S/C12H17NO2/c1-12(2)8-13-7-9-6-10(14-3)4-5-11(9)15-12/h4-6,13H,7-8H2,1-3H3
InChIKey
QXGAQSSSPHTUHU-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

207.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 143.3
[M+Na]+ 230.11515 154.1
[M+NH4]+ 225.15975 152.2
[M+K]+ 246.08909 148.0
[M-H]- 206.11865 145.9
[M+Na-2H]- 228.10060 149.5
[M]+ 207.12538 145.8
[M]- 207.12648 145.8
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

patents stripe