CID 59618756

1510992-29-6

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC(C)(C)C1(CCC1)C(=O)O

InChI

InChI=1S/C9H16O2/c1-8(2,3)9(7(10)11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

CZLFDPZHKQNBLJ-UHFFFAOYSA-N

Compound name

1-tert-butylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 156.11504 Da
Monoisotopic Mass: 2.3
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]+	157.12232	136.7
[M+Na]+	179.10426	141.9
[M-H]-	155.10776	139.1
[M+NH4]+	174.14886	152.6
[M+K]+	195.07820	144.2
[M+H-H2O]+	139.11230	128.8
[M+HCOO]-	201.11324	154.5
[M+CH3COO]-	215.12889	178.2
[M+Na-2H]-	177.08971	141.9
[M]+	156.11449	144.2
[M]-	156.11559	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe