CID 18172

8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
InChIKey
LAIUZQCFIABNDP-UHFFFAOYSA-N
Compound name
8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

62
Patents

312.23007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 147.9
[M+Na]+ 335.21929 158.2
[M+NH4]+ 330.26389 154.2
[M+K]+ 351.19323 157.7
[M-H]- 311.22279 162.5
[M+Na-2H]- 333.20474 155.3
[M]+ 312.22952 155.3
[M]- 312.23062 155.3
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

patents stripe