CID 74352

1706-69-0

Structural Information

Molecular Formula
C14H22O2
SMILES
CCCCCCCCC1=C(C=CC(=C1)O)O
InChI
InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,15-16H,2-8H2,1H3
InChIKey
ZZXILYOBAFPJNS-UHFFFAOYSA-N
Compound name
2-octylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

222.16199 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.4
[M+Na]+ 245.15121 165.1
[M+NH4]+ 240.19581 161.0
[M+K]+ 261.12515 157.8
[M-H]- 221.15471 154.7
[M+Na-2H]- 243.13666 158.3
[M]+ 222.16144 155.3
[M]- 222.16254 155.3
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