CID 16754030

1-(5-hexyl-2-hydroxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCCCCC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C14H20O2/c1-3-4-5-6-7-12-8-9-14(16)13(10-12)11(2)15/h8-10,16H,3-7H2,1-2H3
InChIKey
HSLHQTRNNTYGOH-UHFFFAOYSA-N
Compound name
1-(5-hexyl-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 151.8
[M+Na]+ 243.135548 158.5
[M-H]- 219.139054 153.9
[M+NH4]+ 238.180153 170.0
[M+K]+ 259.109488 155.4
[M+H-H2O]+ 203.143590 145.9
[M+HCOO]- 265.144531 172.8
[M+CH3COO]- 279.160181 190.1
[M+Na-2H]- 241.120996 154.2
[M]+ 220.14578142 154.0
[M]- 220.14687858 154.0
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