CID 171144

2-dodecylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCCCCCCCCCC1=CC=CC=C1O
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3
InChIKey
CYEJMVLDXAUOPN-UHFFFAOYSA-N
Compound name
2-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

28860
Patents

262.22968 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 168.6
[M+Na]+ 285.218898 172.7
[M-H]- 261.222404 169.4
[M+NH4]+ 280.263503 185.0
[M+K]+ 301.192838 168.1
[M+H-H2O]+ 245.226940 161.7
[M+HCOO]- 307.227881 188.9
[M+CH3COO]- 321.243531 199.0
[M+Na-2H]- 283.204346 170.7
[M]+ 262.22913142 171.7
[M]- 262.23022858 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