CID 167734568

2-(methoxymethyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(CNCC2=CC=CC=C2O1)COC
InChI
InChI=1S/C12H17NO2/c1-12(9-14-2)8-13-7-10-5-3-4-6-11(10)15-12/h3-6,13H,7-9H2,1-2H3
InChIKey
ZGYSNUHHIIPLAW-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-2-methyl-4,5-dihydro-3H-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 142.4
[M+Na]+ 230.11515 148.0
[M-H]- 206.11865 145.7
[M+NH4]+ 225.15975 159.9
[M+K]+ 246.08909 149.9
[M+H-H2O]+ 190.12319 136.5
[M+HCOO]- 252.12413 159.3
[M+CH3COO]- 266.13978 154.0
[M+Na-2H]- 228.10060 150.5
[M]+ 207.12538 139.0
[M]- 207.12648 139.0
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.