CID 50986414

1251017-66-9

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)N2

InChI

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

InChIKey

FCRTVZBUJDHXNR-UHFFFAOYSA-N

Compound name

tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 281
Patents: 198.13683 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]+	199.14411	143.8
[M+Na]+	221.12605	147.7
[M+NH4]+	216.17065	147.9
[M+K]+	237.09999	145.4
[M-H]-	197.12955	136.7
[M+Na-2H]-	219.11150	138.7
[M]+	198.13628	140.9
[M]-	198.13738	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe