CID 13676038

Tert-butyl cyclopropanecarboxylate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC(C)(C)OC(=O)C1CC1

InChI

InChI=1S/C8H14O2/c1-8(2,3)10-7(9)6-4-5-6/h6H,4-5H2,1-3H3

InChIKey

FTEAAYMAQFBUJJ-UHFFFAOYSA-N

Compound name

tert-butyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 735
Patents: 142.09938 Da
Monoisotopic Mass: 1.6
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]+	143.10666	133.0
[M+Na]+	165.08860	144.4
[M+NH4]+	160.13320	141.5
[M+K]+	181.06254	141.4
[M-H]-	141.09210	139.9
[M+Na-2H]-	163.07405	139.9
[M]+	142.09883	137.6
[M]-	142.09993	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe