CID 21910483

Hexaneperoxoic acid, 6-(nonylamino)-6-oxo-

Structural Information

Molecular Formula
C15H29NO4
SMILES
CCCCCCCCCNC(=O)CCCCC(=O)OO
InChI
InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-10-13-16-14(17)11-8-9-12-15(18)20-19/h19H,2-13H2,1H3,(H,16,17)
InChIKey
AVLQNPBLHZMWFC-UHFFFAOYSA-N
Compound name
6-(nonylamino)-6-oxohexaneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3172
Patents

287.20966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.216936 174.2
[M+Na]+ 310.198878 176.4
[M-H]- 286.202384 171.4
[M+NH4]+ 305.243483 188.7
[M+K]+ 326.172818 174.6
[M+H-H2O]+ 270.206920 167.3
[M+HCOO]- 332.207861 193.9
[M+CH3COO]- 346.223511 203.0
[M+Na-2H]- 308.184326 173.7
[M]+ 287.20911142 179.0
[M]- 287.21020858 179.0
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

patents stripe