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
3
Annotation Hits

7
References

1197
Patents

220.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.4
[M+Na]+ 243.171928 160.5
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 173.4
[M+K]+ 259.145868 157.2
[M+H-H2O]+ 203.179970 149.2
[M+HCOO]- 265.180911 175.7
[M+CH3COO]- 279.196561 190.8
[M+Na-2H]- 241.157376 157.9
[M]+ 220.18216142 156.8
[M]- 220.18325858 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

literature stripe

Patent stripe

patents stripe