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: 758
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]+	143.106656	131.1
[M+Na]+	165.088598	140.1
[M-H]-	141.092104	136.1
[M+NH4]+	160.133203	148.2
[M+K]+	181.062538	139.2
[M+H-H2O]+	125.096640	126.1
[M+HCOO]-	187.097581	152.9
[M+CH3COO]-	201.113231	178.1
[M+Na-2H]-	163.074046	137.3
[M]+	142.09883142	135.3
[M]-	142.09992858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe