CID 10819

Perillyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=C)C1CCC(=CC1)CO

InChI

InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3

InChIKey

NDTYTMIUWGWIMO-UHFFFAOYSA-N

Compound name

(4-prop-1-en-2-ylcyclohexen-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 306
References: 16338
Patents: 152.12012 Da
Monoisotopic Mass: 2.1
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]+	153.12740	134.4
[M+Na]+	175.10934	139.9
[M-H]-	151.11284	136.1
[M+NH4]+	170.15394	154.9
[M+K]+	191.08328	137.7
[M+H-H2O]+	135.11738	129.4
[M+HCOO]-	197.11832	153.6
[M+CH3COO]-	211.13397	175.5
[M+Na-2H]-	173.09479	137.7
[M]+	152.11957	130.4
[M]-	152.12067	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe