CID 135392191

2231673-55-3

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)CC12CC(C1)(C2)N

InChI

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

InChIKey

FZMWNRAQEXINJP-UHFFFAOYSA-N

Compound name

methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 155.09464 Da
Monoisotopic Mass: -0.3
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	152.7
[M+Na]+	178.08386	148.7
[M+NH4]+	173.12846	152.1
[M+K]+	194.05780	146.6
[M-H]-	154.08736	145.4
[M+Na-2H]-	176.06931	148.3
[M]+	155.09409	147.3
[M]-	155.09519	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe