CID 22665100

(z)-2,4-dihydroxy-6-(8-pentadecenyl)benzoic acid

Structural Information

Molecular Formula
C22H34O4
SMILES
CCCCCC/C=C/CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)17-20(24)21(18)22(25)26/h7-8,16-17,23-24H,2-6,9-15H2,1H3,(H,25,26)/b8-7+
InChIKey
ACSAQPSTIMIXGH-BQYQJAHWSA-N
Compound name
2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

362.2457 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.252976 193.2
[M+Na]+ 385.234918 196.5
[M-H]- 361.238424 191.2
[M+NH4]+ 380.279523 204.1
[M+K]+ 401.208858 190.5
[M+H-H2O]+ 345.242960 186.0
[M+HCOO]- 407.243901 209.0
[M+CH3COO]- 421.259551 213.0
[M+Na-2H]- 383.220366 189.8
[M]+ 362.24515142 197.0
[M]- 362.24624858 197.0
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