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

308
References

15005
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 134.4
[M+Na]+ 175.109338 139.9
[M-H]- 151.112844 136.1
[M+NH4]+ 170.153943 154.9
[M+K]+ 191.083278 137.7
[M+H-H2O]+ 135.117380 129.4
[M+HCOO]- 197.118321 153.6
[M+CH3COO]- 211.133971 175.5
[M+Na-2H]- 173.094786 137.7
[M]+ 152.11957142 130.4
[M]- 152.12066858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe