CID 25220871

Ethyl 1-(aminocarbonyl)cyclobutanecarboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCOC(=O)C1(CCC1)C(=O)N

InChI

InChI=1S/C8H13NO3/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H2,9,10)

InChIKey

XJENSZIDXWFFGW-UHFFFAOYSA-N

Compound name

ethyl 1-carbamoylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.08954 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]+	172.09682	142.3
[M+Na]+	194.07876	145.6
[M+NH4]+	189.12336	146.1
[M+K]+	210.05270	142.2
[M-H]-	170.08226	139.2
[M+Na-2H]-	192.06421	143.7
[M]+	171.08899	140.4
[M]-	171.09009	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe