CID 124706196

1638772-04-9

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C12CCC(C1)(C2)N

InChI

InChI=1S/C8H13NO2/c1-11-6(10)7-2-3-8(9,4-7)5-7/h2-5,9H2,1H3

InChIKey

BVAFIRLHMVEAMF-UHFFFAOYSA-N

Compound name

methyl 4-aminobicyclo[2.1.1]hexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 155.09464 Da
Monoisotopic Mass: -0.2
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]+	156.10192	132.0
[M+Na]+	178.08386	133.7
[M+NH4]+	173.12846	140.0
[M+K]+	194.05780	131.3
[M-H]-	154.08736	126.9
[M+Na-2H]-	176.06931	130.3
[M]+	155.09409	129.5
[M]-	155.09519	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe