CID 131819621

15d3

Structural Information

Molecular Formula
C24H42O3
SMILES
CCCC1=C(C(=C(O1)CCCCCCCCCCCCCCC(=O)O)C)C
InChI
InChI=1S/C24H42O3/c1-4-17-22-20(2)21(3)23(27-22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
InChIKey
OUOHNCBMSRPILC-UHFFFAOYSA-N
Compound name
15-(3,4-dimethyl-5-propylfuran-2-yl)pentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3134 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.32068 203.7
[M+Na]+ 401.30262 206.9
[M-H]- 377.30612 204.8
[M+NH4]+ 396.34722 216.2
[M+K]+ 417.27656 202.8
[M+H-H2O]+ 361.31066 196.6
[M+HCOO]- 423.31160 221.3
[M+CH3COO]- 437.32725 223.1
[M+Na-2H]- 399.28807 198.9
[M]+ 378.31285 212.6
[M]- 378.31395 212.6
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

No patent data available for this compound.