CID 119757

Isononylphenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)CCCCCCC1=CC=CC=C1O
InChI
InChI=1S/C15H24O/c1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)16/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKey
UZVAZDQMPUOHKP-UHFFFAOYSA-N
Compound name
2-(7-methyloctyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2767
Patents

220.18271 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.9
[M+Na]+ 243.17193 166.7
[M+NH4]+ 238.21653 163.2
[M+K]+ 259.14587 159.0
[M-H]- 219.17543 157.0
[M+Na-2H]- 241.15738 160.5
[M]+ 220.18216 157.2
[M]- 220.18326 157.2
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

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