CID 15424691

(2r)-2-hydroperoxytetradecanoate

Structural Information

Molecular Formula
C14H28O4
SMILES
CCCCCCCCCCCC[C@H](C(=O)O)OO
InChI
InChI=1S/C14H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-13(18-17)14(15)16/h13,17H,2-12H2,1H3,(H,15,16)/t13-/m1/s1
InChIKey
QPKAARDIEBQXBY-CYBMUJFWSA-N
Compound name
(2R)-2-hydroperoxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20604 167.8
[M+Na]+ 283.18798 170.5
[M-H]- 259.19148 163.7
[M+NH4]+ 278.23258 183.0
[M+K]+ 299.16192 168.6
[M+H-H2O]+ 243.19602 161.8
[M+HCOO]- 305.19696 185.1
[M+CH3COO]- 319.21261 194.7
[M+Na-2H]- 281.17343 167.0
[M]+ 260.19821 172.0
[M]- 260.19931 172.0
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.