CID 5362876

Isogeraniol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=CC/C=C(/C)\CCO)C

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,11H,4,7-8H2,1-3H3/b10-6-

InChIKey

DTHIOPUFUOMHAY-POHAHGRESA-N

Compound name

(3Z)-3,7-dimethylocta-3,6-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 154.13577 Da
Monoisotopic Mass: 3.1
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]+	155.14305	138.9
[M+Na]+	177.12499	148.2
[M+NH4]+	172.16959	146.0
[M+K]+	193.09893	142.5
[M-H]-	153.12849	137.5
[M+Na-2H]-	175.11044	141.0
[M]+	154.13522	139.5
[M]-	154.13632	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe