CID 82354741

3,4-dihydrospiro[1,4-benzoxazine-2,1'-cyclopentane]-3-one

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1CCC2(C1)C(=O)NC3=CC=CC=C3O2
InChI
InChI=1S/C12H13NO2/c14-11-12(7-3-4-8-12)15-10-6-2-1-5-9(10)13-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChIKey
OFCMGUBYJRDPAE-UHFFFAOYSA-N
Compound name
spiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 144.8
[M+Na]+ 226.08386 156.7
[M+NH4]+ 221.12846 155.4
[M+K]+ 242.05780 150.1
[M-H]- 202.08736 148.6
[M+Na-2H]- 224.06931 150.8
[M]+ 203.09409 147.6
[M]- 203.09519 147.6
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.