CID 103618

Ns00056382

Structural Information

Molecular Formula
C19H36O5
SMILES
CCCCCCCCCCCCC(CC(=O)OC(C)CO)C(=O)O
InChI
InChI=1S/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(19(22)23)14-18(21)24-16(2)15-20/h16-17,20H,3-15H2,1-2H3,(H,22,23)
InChIKey
KOQHGSIOHVERTI-UHFFFAOYSA-N
Compound name
2-[2-(1-hydroxypropan-2-yloxy)-2-oxoethyl]tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2563 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.263576 192.0
[M+Na]+ 367.245518 192.5
[M-H]- 343.249024 187.2
[M+NH4]+ 362.290123 195.5
[M+K]+ 383.219458 190.5
[M+H-H2O]+ 327.253560 185.2
[M+HCOO]- 389.254501 206.1
[M+CH3COO]- 403.270151 211.7
[M+Na-2H]- 365.230966 186.3
[M]+ 344.25575142 197.5
[M]- 344.25684858 197.5
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.