CID 58520785

1154759-69-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1CC2(C1)CO2

InChI

InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-7-4-10(5-7)6-13-10/h7H,4-6H2,1-3H3,(H,11,12)

InChIKey

GWOICXWGUZSVLV-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 199.12085 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]+	200.128126	143.2
[M+Na]+	222.110068	149.7
[M-H]-	198.113574	150.5
[M+NH4]+	217.154673	152.5
[M+K]+	238.084008	153.4
[M+H-H2O]+	182.118110	133.9
[M+HCOO]-	244.119051	162.1
[M+CH3COO]-	258.134701	190.9
[M+Na-2H]-	220.095516	150.8
[M]+	199.12030142	155.7
[M]-	199.12139858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe