CID 16205902

1-ethyl-1-methylheptyl formate

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCCC(C)(CC)OC=O

InChI

InChI=1S/C11H22O2/c1-4-6-7-8-9-11(3,5-2)13-10-12/h10H,4-9H2,1-3H3

InChIKey

ZARHEEPZMZOKBS-UHFFFAOYSA-N

Compound name

3-methylnonan-3-yl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.16199 Da
Monoisotopic Mass: 4.2
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]+	187.169266	146.3
[M+Na]+	209.151208	152.3
[M-H]-	185.154714	146.1
[M+NH4]+	204.195813	166.5
[M+K]+	225.125148	151.5
[M+H-H2O]+	169.159250	141.6
[M+HCOO]-	231.160191	167.7
[M+CH3COO]-	245.175841	185.8
[M+Na-2H]-	207.136656	151.5
[M]+	186.16144142	151.3
[M]-	186.16253858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe