CID 7778

Citronellyl formate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(CCC=C(C)C)CCOC=O

InChI

InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

InChIKey

DZNVIZQPWLDQHI-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-6-enyl formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 3359
Patents: 184.14633 Da
Monoisotopic Mass: 3.8
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]+	185.15361	145.4
[M+Na]+	207.13555	154.5
[M+NH4]+	202.18015	152.1
[M+K]+	223.10949	148.8
[M-H]-	183.13905	143.9
[M+Na-2H]-	205.12100	147.4
[M]+	184.14578	146.0
[M]-	184.14688	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe