CID 3019061

2-methyl-2-phenylpent-4-en-1-ol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

176.12012 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe