CID 171120164

Fahfa(12:0/3-o-10:0)

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCCCCCCCCC(=O)OC(CCCCCCC)CC(=O)O
InChI
InChI=1S/C22H42O4/c1-3-5-7-9-10-11-12-14-16-18-22(25)26-20(19-21(23)24)17-15-13-8-6-4-2/h20H,3-19H2,1-2H3,(H,23,24)
InChIKey
XAXZRTFPESOIDQ-UHFFFAOYSA-N
Compound name
3-dodecanoyloxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.30832 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 202.4
[M+Na]+ 393.29754 202.4
[M-H]- 369.30104 198.4
[M+NH4]+ 388.34214 205.0
[M+K]+ 409.27148 199.3
[M+H-H2O]+ 353.30558 195.0
[M+HCOO]- 415.30652 210.6
[M+CH3COO]- 429.32217 220.1
[M+Na-2H]- 391.28299 196.8
[M]+ 370.30777 210.2
[M]- 370.30887 210.2
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.