CID 520185

2512-56-3

Structural Information

Molecular Formula
C21H26O3
SMILES
CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3
InChIKey
VNFXPOAMRORRJJ-UHFFFAOYSA-N
Compound name
(4-octylphenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11816
Patents

326.1882 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 181.2
[M+Na]+ 349.17742 186.0
[M-H]- 325.18092 185.6
[M+NH4]+ 344.22202 194.4
[M+K]+ 365.15136 181.3
[M+H-H2O]+ 309.18546 172.7
[M+HCOO]- 371.18640 201.5
[M+CH3COO]- 385.20205 208.1
[M+Na-2H]- 347.16287 182.3
[M]+ 326.18765 184.4
[M]- 326.18875 184.4
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

patents stripe