CID 127018607

17219-41-9

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CC1(C(C1(C)C2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C13H16O2/c1-12(2)10(11(14)15)13(12,3)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)

InChIKey

OXKYWMXNHAZFCB-UHFFFAOYSA-N

Compound name

2,2,3-trimethyl-3-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 204.11504 Da
Monoisotopic Mass: 3.0
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]+	205.12232	142.7
[M+Na]+	227.10426	153.2
[M-H]-	203.10776	150.0
[M+NH4]+	222.14886	160.6
[M+K]+	243.07820	151.4
[M+H-H2O]+	187.11230	138.8
[M+HCOO]-	249.11324	164.0
[M+CH3COO]-	263.12889	188.0
[M+Na-2H]-	225.08971	148.8
[M]+	204.11449	146.8
[M]-	204.11559	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe