CID 11020041

6-(benzyloxy)hex-1-en-3-ol

Structural Information

Molecular Formula
C13H18O2
SMILES
C=CC(CCCOCC1=CC=CC=C1)O
InChI
InChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKey
HMPNYJBASMRXRZ-UHFFFAOYSA-N
Compound name
6-phenylmethoxyhex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 148.7
[M+Na]+ 229.119898 153.9
[M-H]- 205.123404 150.1
[M+NH4]+ 224.164503 166.7
[M+K]+ 245.093838 151.0
[M+H-H2O]+ 189.127940 142.4
[M+HCOO]- 251.128881 170.1
[M+CH3COO]- 265.144531 184.7
[M+Na-2H]- 227.105346 153.0
[M]+ 206.13013142 149.7
[M]- 206.13122858 149.7
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

No patent data available for this compound.