CID 84679804

1434141-90-8

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC1(C(CC1=O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(7,4)5/h7H,6H2,1-5H3,(H,12,14)

InChIKey

CQICNEBWLQLCIC-UHFFFAOYSA-N

Compound name

tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 213.13649 Da
Monoisotopic Mass: 1.4
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]+	214.14377	150.2
[M+Na]+	236.12571	155.9
[M-H]-	212.12921	154.1
[M+NH4]+	231.17031	164.6
[M+K]+	252.09965	158.8
[M+H-H2O]+	196.13375	141.4
[M+HCOO]-	258.13469	170.0
[M+CH3COO]-	272.15034	193.4
[M+Na-2H]-	234.11116	153.9
[M]+	213.13594	160.7
[M]-	213.13704	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe