CID 118997539

Methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

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

InChI

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

InChIKey

PJKRHYBIRWXCPO-UHFFFAOYSA-N

Compound name

methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	156.101916	156.4
[M+Na]+	178.083858	159.3
[M-H]-	154.087364	159.1
[M+NH4]+	173.128463	162.5
[M+K]+	194.057798	165.5
[M+H-H2O]+	138.091900	142.9
[M+HCOO]-	200.092841	169.2
[M+CH3COO]-	214.108491	207.2
[M+Na-2H]-	176.069306	161.5
[M]+	155.09409142	180.5
[M]-	155.09518858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe