CID 53401365

867065-85-8

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCNC1

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-5-10-7-11/h10H,4-7H2,1-3H3

InChIKey

DSAFUUFVQNUZMS-UHFFFAOYSA-N

Compound name

tert-butyl 1,3-diazinane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 186.13683 Da
Monoisotopic Mass: 0.9
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]+	187.14411	144.1
[M+Na]+	209.12605	152.7
[M+NH4]+	204.17065	150.3
[M+K]+	225.09999	149.0
[M-H]-	185.12955	142.5
[M+Na-2H]-	207.11150	147.1
[M]+	186.13628	144.5
[M]-	186.13738	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe