CID 57994915

1350362-73-0

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCNCCO1

InChI

InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-6-4-10-5-7-13-11/h10H,4-7H2,1-3H3

InChIKey

RRKGAOLAOHJPBE-UHFFFAOYSA-N

Compound name

tert-butyl 1,2,5-oxadiazepane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 202.13174 Da
Monoisotopic Mass: 0.5
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]+	203.13902	146.0
[M+Na]+	225.12096	152.6
[M+NH4]+	220.16556	150.8
[M+K]+	241.09490	151.5
[M-H]-	201.12446	145.0
[M+Na-2H]-	223.10641	148.1
[M]+	202.13119	146.4
[M]-	202.13229	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe