CID 79541

Decyl formate

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCCCCCCOC=O

InChI

InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3

InChIKey

BCLJZFLDSCTULJ-UHFFFAOYSA-N

Compound name

decyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2975
Patents: 186.16199 Da
Monoisotopic Mass: 4.6
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]+	187.16927	145.4
[M+Na]+	209.15121	155.1
[M+NH4]+	204.19581	152.6
[M+K]+	225.12515	147.9
[M-H]-	185.15471	144.7
[M+Na-2H]-	207.13666	148.3
[M]+	186.16144	146.4
[M]-	186.16254	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe