CID 46738182

1017789-34-2

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CNC2C1

InChI

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3

InChIKey

YKGWXZRHRQUYTA-UHFFFAOYSA-N

Compound name

tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 198.13683 Da
Monoisotopic Mass: 0.6
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]+	199.14411	147.1
[M+Na]+	221.12605	150.4
[M+NH4]+	216.17065	149.7
[M+K]+	237.09999	150.6
[M-H]-	197.12955	142.2
[M+Na-2H]-	219.11150	145.5
[M]+	198.13628	144.6
[M]-	198.13738	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe