CID 5463791

2-methyl-5-phenylpentanol

Structural Information

Molecular Formula
C12H18O
SMILES
CC(CCCC1=CC=CC=C1)CO
InChI
InChI=1S/C12H18O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKey
DRTBYQJIHFSKDT-UHFFFAOYSA-N
Compound name
2-methyl-5-phenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2944
Patents

178.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 142.1
[M+Na]+ 201.12499 147.6
[M-H]- 177.12849 143.8
[M+NH4]+ 196.16959 161.5
[M+K]+ 217.09893 145.0
[M+H-H2O]+ 161.13303 136.3
[M+HCOO]- 223.13397 163.4
[M+CH3COO]- 237.14962 180.6
[M+Na-2H]- 199.11044 147.0
[M]+ 178.13522 142.0
[M]- 178.13632 142.0
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