CID 72207666

2-cbz-6-oxo-2-azaspiro[3.3]heptane

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: 18
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]+	246.112476	145.4
[M+Na]+	268.094418	149.8
[M-H]-	244.097924	151.9
[M+NH4]+	263.139023	150.3
[M+K]+	284.068358	153.5
[M+H-H2O]+	228.102460	129.7
[M+HCOO]-	290.103401	162.5
[M+CH3COO]-	304.119051	201.7
[M+Na-2H]-	266.079866	150.0
[M]+	245.10465142	161.5
[M]-	245.10574858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe