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]+ 363.25298 193.2
[M+Na]+ 385.23492 196.5
[M-H]- 361.23842 191.2
[M+NH4]+ 380.27952 204.1
[M+K]+ 401.20886 190.5
[M+H-H2O]+ 345.24296 186.0
[M+HCOO]- 407.24390 209.0
[M+CH3COO]- 421.25955 213.0
[M+Na-2H]- 383.22037 189.8
[M]+ 362.24515 197.0
[M]- 362.24625 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