CID 45122079

1269021-92-2

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)C1(CCC1)CN

InChI

InChI=1S/C8H15NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3

InChIKey

GPEFDMPXVMDHKY-UHFFFAOYSA-N

Compound name

ethyl 1-(aminomethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 157.11028 Da
Monoisotopic Mass: 0.4
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]+	158.117556	136.9
[M+Na]+	180.099498	141.4
[M-H]-	156.103004	139.8
[M+NH4]+	175.144103	152.5
[M+K]+	196.073438	144.1
[M+H-H2O]+	140.107540	127.2
[M+HCOO]-	202.108481	158.2
[M+CH3COO]-	216.124131	181.5
[M+Na-2H]-	178.084946	141.3
[M]+	157.10973142	144.5
[M]-	157.11082858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe