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 141.5
[M+Na]+ 228.09950 146.4
[M-H]- 204.10300 147.0
[M+NH4]+ 223.14410 159.1
[M+K]+ 244.07344 147.4
[M+H-H2O]+ 188.10754 135.3
[M+HCOO]- 250.10848 156.6
[M+CH3COO]- 264.12413 152.9
[M+Na-2H]- 226.08495 148.7
[M]+ 205.10973 134.5
[M]- 205.11083 134.5
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.