CID 73242167

Tetrapedic acid a

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCCCCCC[C@H](CCC[C@H](CC(=O)O)O)O
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)15-13-16-19(22)17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)/t18-,19-/m1/s1
InChIKey
WKTAZNAFUIUYKK-RTBURBONSA-N
Compound name
(3R,7R)-3,7-dihydroxyicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.29266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 195.4
[M+Na]+ 367.28188 194.9
[M-H]- 343.28538 188.9
[M+NH4]+ 362.32648 206.4
[M+K]+ 383.25582 191.3
[M+H-H2O]+ 327.28992 188.6
[M+HCOO]- 389.29086 208.2
[M+CH3COO]- 403.30651 210.8
[M+Na-2H]- 365.26733 189.7
[M]+ 344.29211 199.3
[M]- 344.29321 199.3
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.