CID 3676070

2243508-86-1

Structural Information

Molecular Formula
C14H15NO3
SMILES
C1CN(CC12CC(=O)OC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H15NO3/c16-12-8-14(13(17)18-12)6-7-15(10-14)9-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
QDCLTYQTNXXSQP-UHFFFAOYSA-N
Compound name
7-benzyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.9
[M+Na]+ 268.09442 161.6
[M-H]- 244.09792 162.1
[M+NH4]+ 263.13902 174.2
[M+K]+ 284.06836 159.5
[M+H-H2O]+ 228.10246 147.5
[M+HCOO]- 290.10340 174.3
[M+CH3COO]- 304.11905 166.8
[M+Na-2H]- 266.07987 156.1
[M]+ 245.10465 152.2
[M]- 245.10575 152.2
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.