CID 50609

Decyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13,18H,2-9,14H2,1H3
InChIKey
GMMXJVUYXPXLPY-UHFFFAOYSA-N
Compound name
decyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

278.1882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 169.8
[M+Na]+ 301.17742 174.2
[M-H]- 277.18092 170.9
[M+NH4]+ 296.22202 185.3
[M+K]+ 317.15136 170.9
[M+H-H2O]+ 261.18546 162.7
[M+HCOO]- 323.18640 190.1
[M+CH3COO]- 337.20205 199.2
[M+Na-2H]- 299.16287 171.2
[M]+ 278.18765 174.0
[M]- 278.18875 174.0
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