CID 14619456

Isododecylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CC(C)CCCCCCCCCC1=CC=CC=C1O
InChI
InChI=1S/C18H30O/c1-16(2)12-8-6-4-3-5-7-9-13-17-14-10-11-15-18(17)19/h10-11,14-16,19H,3-9,12-13H2,1-2H3
InChIKey
NNAVBEAARXTLEG-UHFFFAOYSA-N
Compound name
2-(10-methylundecyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
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 169.3
[M+Na]+ 285.21890 173.1
[M-H]- 261.22240 170.1
[M+NH4]+ 280.26350 185.5
[M+K]+ 301.19284 169.0
[M+H-H2O]+ 245.22694 162.4
[M+HCOO]- 307.22788 188.5
[M+CH3COO]- 321.24353 199.8
[M+Na-2H]- 283.20435 170.1
[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