CID 12085064

676371-65-6

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C12CC(C1)(C2)N

InChI

InChI=1S/C7H11NO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4,8H2,1H3

InChIKey

IIYIKAGIHQBRNZ-UHFFFAOYSA-N

Compound name

methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 368
Patents: 141.07898 Da
Monoisotopic Mass: -0.5
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]+	142.08626	149.2
[M+Na]+	164.06820	145.4
[M+NH4]+	159.11280	148.7
[M+K]+	180.04214	143.5
[M-H]-	140.07170	141.9
[M+Na-2H]-	162.05365	145.1
[M]+	141.07843	143.9
[M]-	141.07953	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe