CID 66030

4-dodecylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
InChIKey
KJWMCPYEODZESQ-UHFFFAOYSA-N
Compound name
4-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

22954
Patents

262.22968 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 168.6
[M+Na]+ 285.21890 172.7
[M-H]- 261.22240 169.4
[M+NH4]+ 280.26350 185.0
[M+K]+ 301.19284 168.1
[M+H-H2O]+ 245.22694 161.7
[M+HCOO]- 307.22788 188.9
[M+CH3COO]- 321.24353 199.0
[M+Na-2H]- 283.20435 170.7
[M]+ 262.22913 171.7
[M]- 262.23023 171.7
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