CID 115099444

1895395-21-7

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CCC2(C1)COC3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H15NO2/c15-12-13(7-3-4-8-13)9-16-11-6-2-1-5-10(11)14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKey
QQVZNGAGCLAEAY-UHFFFAOYSA-N
Compound name
spiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopentane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.3
[M+Na]+ 240.09950 151.9
[M-H]- 216.10300 151.6
[M+NH4]+ 235.14410 165.0
[M+K]+ 256.07344 151.4
[M+H-H2O]+ 200.10754 140.2
[M+HCOO]- 262.10848 162.3
[M+CH3COO]- 276.12413 157.6
[M+Na-2H]- 238.08495 151.8
[M]+ 217.10973 138.8
[M]- 217.11083 138.8
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.