CID 79960

2,4,6-tributylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCC1=CC(=C(C(=C1)CCCC)O)CCCC
InChI
InChI=1S/C18H30O/c1-4-7-10-15-13-16(11-8-5-2)18(19)17(14-15)12-9-6-3/h13-14,19H,4-12H2,1-3H3
InChIKey
KHWQFISNNNRGLV-UHFFFAOYSA-N
Compound name
2,4,6-tributylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

880
Patents

262.22968 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 167.4
[M+Na]+ 285.21890 173.4
[M-H]- 261.22240 169.1
[M+NH4]+ 280.26350 184.5
[M+K]+ 301.19284 169.0
[M+H-H2O]+ 245.22694 161.1
[M+HCOO]- 307.22788 187.7
[M+CH3COO]- 321.24353 201.3
[M+Na-2H]- 283.20435 168.2
[M]+ 262.22913 171.4
[M]- 262.23023 171.4
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