CID 61092

141-09-3

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(CCCC(=C)C)CCOC=O

InChI

InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3

InChIKey

VMBKZHMLQXCNCP-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-7-enyl formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 171
Patents: 184.14633 Da
Monoisotopic Mass: 4.1
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]+	185.153606	145.4
[M+Na]+	207.135548	150.8
[M-H]-	183.139054	145.1
[M+NH4]+	202.180153	165.4
[M+K]+	223.109488	149.9
[M+H-H2O]+	167.143590	140.3
[M+HCOO]-	229.144531	166.5
[M+CH3COO]-	243.160181	186.1
[M+Na-2H]-	205.120996	147.4
[M]+	184.14578142	148.9
[M]-	184.14687858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe