CID 132351235

2138390-08-4

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1CC12CC(=O)C2

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-8-6-11(8)4-7(13)5-11/h8H,4-6H2,1-3H3,(H,12,14)

InChIKey

NOHPNCADBPHBEG-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-oxospiro[2.3]hexan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.12085 Da
Monoisotopic Mass: 0.7
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]+	212.128126	148.2
[M+Na]+	234.110068	155.3
[M-H]-	210.113574	154.9
[M+NH4]+	229.154673	158.4
[M+K]+	250.084008	156.9
[M+H-H2O]+	194.118110	139.2
[M+HCOO]-	256.119051	167.8
[M+CH3COO]-	270.134701	193.9
[M+Na-2H]-	232.095516	153.5
[M]+	211.12030142	160.0
[M]-	211.12139858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.