CID 72207666

1363381-91-2

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

C1C(=O)CC12CN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C14H15NO3/c16-12-6-14(7-12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5H,6-10H2

InChIKey

VKPRLSJKUKAFBP-UHFFFAOYSA-N

Compound name

benzyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 245.1052 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.11248	157.0
[M+Na]+	268.09442	159.5
[M+NH4]+	263.13902	157.8
[M+K]+	284.06836	156.1
[M-H]-	244.09792	154.4
[M+Na-2H]-	266.07987	159.3
[M]+	245.10465	154.4
[M]-	245.10575	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe