CID 155820586

2460750-99-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C1(CCC1)C2(CCC2)N

InChI

InChI=1S/C10H17NO2/c1-13-8(12)9(4-2-5-9)10(11)6-3-7-10/h2-7,11H2,1H3

InChIKey

JIEQSWPZJGPMCQ-UHFFFAOYSA-N

Compound name

methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 1.3
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]+	184.133206	142.2
[M+Na]+	206.115148	144.8
[M-H]-	182.118654	147.8
[M+NH4]+	201.159753	151.3
[M+K]+	222.089088	149.7
[M+H-H2O]+	166.123190	129.4
[M+HCOO]-	228.124131	159.9
[M+CH3COO]-	242.139781	194.4
[M+Na-2H]-	204.100596	146.0
[M]+	183.12538142	155.9
[M]-	183.12647858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.