CID 54595555

1250995-45-9

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1C2CCC1NC2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-4-5-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)

InChIKey

LKMTYLUKCLIYBU-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-azabicyclo[2.2.1]heptan-7-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 212.15248 Da
Monoisotopic Mass: 1.2
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]+	213.15976	149.2
[M+Na]+	235.14170	154.5
[M+NH4]+	230.18630	156.2
[M+K]+	251.11564	154.8
[M-H]-	211.14520	147.1
[M+Na-2H]-	233.12715	148.5
[M]+	212.15193	148.8
[M]-	212.15303	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe