CID 338733

Jrw3q994vg

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)CCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
InChIKey
JSFITYFUKSFPBZ-UHFFFAOYSA-N
Compound name
4-(7-methyloctyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1194
Patents

220.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.4
[M+Na]+ 243.17193 160.5
[M-H]- 219.17543 156.9
[M+NH4]+ 238.21653 173.4
[M+K]+ 259.14587 157.2
[M+H-H2O]+ 203.17997 149.2
[M+HCOO]- 265.18091 175.7
[M+CH3COO]- 279.19656 190.8
[M+Na-2H]- 241.15738 157.9
[M]+ 220.18216 156.8
[M]- 220.18326 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.