CID 5365850

Geranyl valerate

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CCCCC(=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+

InChIKey

CVSWGLSBJFKWMW-SDNWHVSQSA-N

Compound name

[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 241
Patents: 238.19328 Da
Monoisotopic Mass: 4.8
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]+	239.20056	162.9
[M+Na]+	261.18250	167.0
[M-H]-	237.18600	162.1
[M+NH4]+	256.22710	180.8
[M+K]+	277.15644	164.9
[M+H-H2O]+	221.19054	157.3
[M+HCOO]-	283.19148	182.0
[M+CH3COO]-	297.20713	196.1
[M+Na-2H]-	259.16795	161.6
[M]+	238.19273	166.3
[M]-	238.19383	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe