CID 132398877

2172503-62-5

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1COCC12CNCC3=CC=CC=C3O2
InChI
InChI=1S/C12H15NO2/c1-2-4-11-10(3-1)7-13-8-12(15-11)5-6-14-9-12/h1-4,13H,5-9H2
InChIKey
DTPQOLDZVVITGV-UHFFFAOYSA-N
Compound name
spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,3'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.1
[M+Na]+ 228.09950 156.7
[M+NH4]+ 223.14410 156.6
[M+K]+ 244.07344 152.2
[M-H]- 204.10300 151.6
[M+Na-2H]- 226.08495 152.4
[M]+ 205.10973 149.8
[M]- 205.11083 149.8
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

No patent data available for this compound.