CID 134918244

Tert-butyl bicyclo(1.1.0)butane-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(C)(C)OC(=O)C12CC1C2

InChI

InChI=1S/C9H14O2/c1-8(2,3)11-7(10)9-4-6(9)5-9/h6H,4-5H2,1-3H3

InChIKey

QUVXUNUTCPNVBG-UHFFFAOYSA-N

Compound name

tert-butyl bicyclo[1.1.0]butane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 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]+	155.10666	148.5
[M+Na]+	177.08860	157.0
[M-H]-	153.09210	154.2
[M+NH4]+	172.13320	160.8
[M+K]+	193.06254	156.9
[M+H-H2O]+	137.09664	144.8
[M+HCOO]-	199.09758	165.7
[M+CH3COO]-	213.11323	190.5
[M+Na-2H]-	175.07405	154.0
[M]+	154.09883	155.4
[M]-	154.09993	155.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.