CID 132936393

Monoarachidin

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)COC(CO)O
InChI
InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)21-27-23(26)20-24/h23-24,26H,2-21H2,1H3
InChIKey
GIISRQIHTLIGDA-UHFFFAOYSA-N
Compound name
1-(1,2-dihydroxyethoxy)henicosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3396 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.346876 207.6
[M+Na]+ 409.328818 206.5
[M-H]- 385.332324 201.8
[M+NH4]+ 404.373423 207.0
[M+K]+ 425.302758 202.5
[M+H-H2O]+ 369.336860 199.9
[M+HCOO]- 431.337801 216.1
[M+CH3COO]- 445.353451 221.2
[M+Na-2H]- 407.314266 202.2
[M]+ 386.33905142 215.3
[M]- 386.34014858 215.3
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.