CID 3032831

Phenol, decyl-

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCCCCCCCC1=CC=CC=C1O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3
InChIKey
FDIPWBUDOCPIMH-UHFFFAOYSA-N
Compound name
2-decylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5356
Patents

234.19836 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 159.5
[M+Na]+ 257.187578 164.4
[M-H]- 233.191084 160.7
[M+NH4]+ 252.232183 177.0
[M+K]+ 273.161518 160.4
[M+H-H2O]+ 217.195620 153.0
[M+HCOO]- 279.196561 180.4
[M+CH3COO]- 293.212211 193.0
[M+Na-2H]- 255.173026 162.7
[M]+ 234.19781142 161.9
[M]- 234.19890858 161.9
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