CID 637566

Geraniol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=CCC/C(=C/CO)/C)C

InChI

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

InChIKey

GLZPCOQZEFWAFX-JXMROGBWSA-N

Compound name

(2E)-3,7-dimethylocta-2,6-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 1284
References: 93564
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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	144.5
[M-H]-	153.12849	137.5
[M+NH4]+	172.16959	159.6
[M+K]+	193.09893	142.5
[M+H-H2O]+	137.13303	134.5
[M+HCOO]-	199.13397	158.6
[M+CH3COO]-	213.14962	177.1
[M+Na-2H]-	175.11044	140.9
[M]+	154.13522	138.4
[M]-	154.13632	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe