CID 10880741

(2r)-2-hydroperoxyhexadecanoate

Structural Information

Molecular Formula
C16H32O4
SMILES
CCCCCCCCCCCCCC[C@H](C(=O)O)OO
InChI
InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(20-19)16(17)18/h15,19H,2-14H2,1H3,(H,17,18)/t15-/m1/s1
InChIKey
IVNJLKVSGFEPKH-OAHLLOKOSA-N
Compound name
(2R)-2-hydroperoxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.23007 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 176.8
[M+Na]+ 311.21929 178.6
[M-H]- 287.22279 172.4
[M+NH4]+ 306.26389 190.9
[M+K]+ 327.19323 176.3
[M+H-H2O]+ 271.22733 170.4
[M+HCOO]- 333.22827 193.4
[M+CH3COO]- 347.24392 200.6
[M+Na-2H]- 309.20474 175.0
[M]+ 288.22952 181.8
[M]- 288.23062 181.8
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

No patent data available for this compound.