CID 14434460

122699-51-8

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(C)(C)OC(=O)C1CC(=C)C1

InChI

InChI=1S/C10H16O2/c1-7-5-8(6-7)9(11)12-10(2,3)4/h8H,1,5-6H2,2-4H3

InChIKey

FLQMUIAECQUUIU-UHFFFAOYSA-N

Compound name

tert-butyl 3-methylidenecyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 168.11504 Da
Monoisotopic Mass: 1.8
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]+	169.12232	136.7
[M+Na]+	191.10426	142.4
[M-H]-	167.10776	140.4
[M+NH4]+	186.14886	151.2
[M+K]+	207.07820	144.7
[M+H-H2O]+	151.11230	127.4
[M+HCOO]-	213.11324	155.9
[M+CH3COO]-	227.12889	183.7
[M+Na-2H]-	189.08971	140.3
[M]+	168.11449	145.8
[M]-	168.11559	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe