CID 82354741

1367920-58-8

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 143.2
[M+Na]+ 226.08386 150.6
[M-H]- 202.08736 147.4
[M+NH4]+ 221.12846 163.8
[M+K]+ 242.05780 147.6
[M+H-H2O]+ 186.09190 136.7
[M+HCOO]- 248.09284 160.0
[M+CH3COO]- 262.10849 155.4
[M+Na-2H]- 224.06931 149.7
[M]+ 203.09409 138.3
[M]- 203.09519 138.3
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.