CID 3015539

Tri-sec-butylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCC(C)C1=C(C(=C(C=C1)O)C(C)CC)C(C)CC
InChI
InChI=1S/C18H30O/c1-7-12(4)15-10-11-16(19)18(14(6)9-3)17(15)13(5)8-2/h10-14,19H,7-9H2,1-6H3
InChIKey
PIHPRZNPMVNXGQ-UHFFFAOYSA-N
Compound name
2,3,4-tri(butan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

262.22968 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 167.8
[M+Na]+ 285.21890 179.1
[M+NH4]+ 280.26350 175.3
[M+K]+ 301.19284 172.7
[M-H]- 261.22240 169.5
[M+Na-2H]- 283.20435 171.5
[M]+ 262.22913 169.9
[M]- 262.23023 169.9
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