CID 59776920

880545-32-4

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC12CCNCC1C2

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-4-5-12-7-8(11)6-11/h8,12H,4-7H2,1-3H3,(H,13,14)

InChIKey

UVXQLUZASNYBCQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 212.15248 Da
Monoisotopic Mass: 0.9
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	153.5
[M+Na]+	235.14170	160.2
[M-H]-	211.14520	155.5
[M+NH4]+	230.18630	168.2
[M+K]+	251.11564	157.9
[M+H-H2O]+	195.14974	148.4
[M+HCOO]-	257.15068	169.2
[M+CH3COO]-	271.16633	188.4
[M+Na-2H]-	233.12715	160.1
[M]+	212.15193	153.2
[M]-	212.15303	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe