CID 11780323

Phenol, 4-isododecyl-

Structural Information

Molecular Formula
C18H30O
SMILES
CC(C)CCCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-16(2)10-8-6-4-3-5-7-9-11-17-12-14-18(19)15-13-17/h12-16,19H,3-11H2,1-2H3
InChIKey
IGDJYCYTMKFRMP-UHFFFAOYSA-N
Compound name
4-(10-methylundecyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

262.22968 Da
Monoisotopic Mass

7.2
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