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: 284
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	159.3
[M+Na]+	221.12605	163.0
[M-H]-	197.12955	153.9
[M+NH4]+	216.17065	173.1
[M+K]+	237.09999	164.9
[M+H-H2O]+	181.13409	149.5
[M+HCOO]-	243.13503	166.5
[M+CH3COO]-	257.15068	189.2
[M+Na-2H]-	219.11150	167.2
[M]+	198.13628	169.3
[M]-	198.13738	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe