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]+ 207.13796 148.7
[M+Na]+ 229.11990 153.9
[M-H]- 205.12340 150.1
[M+NH4]+ 224.16450 166.7
[M+K]+ 245.09384 151.0
[M+H-H2O]+ 189.12794 142.4
[M+HCOO]- 251.12888 170.1
[M+CH3COO]- 265.14453 184.7
[M+Na-2H]- 227.10535 153.0
[M]+ 206.13013 149.7
[M]- 206.13123 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.