CID 21117875

Schembl3034548

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCC(C)C(C)(C)OC=O

InChI

InChI=1S/C10H20O2/c1-5-6-7-9(2)10(3,4)12-8-11/h8-9H,5-7H2,1-4H3

InChIKey

PIVRMVYQHOUADC-UHFFFAOYSA-N

Compound name

2,3-dimethylheptan-2-yl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.14633 Da
Monoisotopic Mass: 3.5
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]+	173.153606	141.5
[M+Na]+	195.135548	147.7
[M-H]-	171.139054	141.6
[M+NH4]+	190.180153	162.2
[M+K]+	211.109488	147.7
[M+H-H2O]+	155.143590	137.1
[M+HCOO]-	217.144531	162.2
[M+CH3COO]-	231.160181	183.5
[M+Na-2H]-	193.120996	146.1
[M]+	172.14578142	145.5
[M]-	172.14687858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe