CID 10544731

1-(3,5-dihydroxyphenyl)-2-pentadecanone

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCCCCCCCCCCCC(=O)CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,23-24H,2-14H2,1H3
InChIKey
GOWOYXJBRFHPCM-UHFFFAOYSA-N
Compound name
1-(3,5-dihydroxyphenyl)pentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2508 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 187.4
[M+Na]+ 357.24002 190.5
[M-H]- 333.24352 186.6
[M+NH4]+ 352.28462 200.1
[M+K]+ 373.21396 185.4
[M+H-H2O]+ 317.24806 180.0
[M+HCOO]- 379.24900 204.7
[M+CH3COO]- 393.26465 210.5
[M+Na-2H]- 355.22547 185.5
[M]+ 334.25025 191.7
[M]- 334.25135 191.7
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

No patent data available for this compound.