CID 108311

55066-45-0

Structural Information

Molecular Formula
C12H16O
SMILES
CC(CCC1=CC=CC=C1)(C=C)O
InChI
InChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-8,13H,1,9-10H2,2H3
InChIKey
UWRYPWSHHZVMHR-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 140.3
[M+Na]+ 199.109338 146.8
[M-H]- 175.112844 142.3
[M+NH4]+ 194.153943 159.9
[M+K]+ 215.083278 143.6
[M+H-H2O]+ 159.117380 135.1
[M+HCOO]- 221.118321 161.3
[M+CH3COO]- 235.133971 179.2
[M+Na-2H]- 197.094786 147.1
[M]+ 176.11957142 139.7
[M]- 176.12066858 139.7
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