CID 10103699

1-phenylhex-5-en-3-ol

Structural Information

Molecular Formula
C12H16O
SMILES
C=CCC(CCC1=CC=CC=C1)O
InChI
InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2
InChIKey
AYQFIGASVMPYQZ-UHFFFAOYSA-N
Compound name
1-phenylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

176.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.7
[M+Na]+ 199.10934 146.5
[M-H]- 175.11284 142.4
[M+NH4]+ 194.15394 160.1
[M+K]+ 215.08328 143.3
[M+H-H2O]+ 159.11738 135.0
[M+HCOO]- 221.11832 162.2
[M+CH3COO]- 235.13397 179.7
[M+Na-2H]- 197.09479 145.6
[M]+ 176.11957 139.9
[M]- 176.12067 139.9
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