CID 61464

Dmbc formate

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

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

InChI

InChI=1S/C11H14O2/c1-11(2,13-9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

CFSCYYFRHIBXMS-UHFFFAOYSA-N

Compound name

(2-methyl-1-phenylpropan-2-yl) formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 223
Patents: 178.09938 Da
Monoisotopic Mass: 2.7
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]+	179.10666	138.3
[M+Na]+	201.08860	145.7
[M-H]-	177.09210	141.9
[M+NH4]+	196.13320	158.5
[M+K]+	217.06254	144.2
[M+H-H2O]+	161.09664	132.9
[M+HCOO]-	223.09758	161.4
[M+CH3COO]-	237.11323	180.9
[M+Na-2H]-	199.07405	146.2
[M]+	178.09883	140.8
[M]-	178.09993	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe