CID 22833446

Phenol, tetrapropylene-

Structural Information

Molecular Formula
C18H30O
SMILES
CCCC(C)C(CCC)C(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-5-7-14(3)18(8-6-2)15(4)13-16-9-11-17(19)12-10-16/h9-12,14-15,18-19H,5-8,13H2,1-4H3
InChIKey
OZZIOWVRWRTHQO-UHFFFAOYSA-N
Compound name
4-(2,4-dimethyl-3-propylheptyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 169.5
[M+Na]+ 285.21890 172.9
[M-H]- 261.22240 170.6
[M+NH4]+ 280.26350 185.7
[M+K]+ 301.19284 169.8
[M+H-H2O]+ 245.22694 163.0
[M+HCOO]- 307.22788 186.8
[M+CH3COO]- 321.24353 201.5
[M+Na-2H]- 283.20435 167.9
[M]+ 262.22913 170.7
[M]- 262.23023 170.7
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