CID 91800898

1638767-25-5

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC12CC(C1)(C2)N

InChI

InChI=1S/C10H18N2O2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6,11H2,1-3H3,(H,12,13)

InChIKey

WDWZFRPJPZEOBM-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 198.13683 Da
Monoisotopic Mass: 0.4
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]+	199.144106	175.1
[M+Na]+	221.126048	176.2
[M-H]-	197.129554	177.2
[M+NH4]+	216.170653	179.4
[M+K]+	237.099988	183.0
[M+H-H2O]+	181.134090	160.5
[M+HCOO]-	243.135031	186.3
[M+CH3COO]-	257.150681	214.5
[M+Na-2H]-	219.111496	179.2
[M]+	198.13628142	198.3
[M]-	198.13737858	198.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe