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
2
Annotation Hits

0
References

3094
Patents

287.20966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21694 174.2
[M+Na]+ 310.19888 176.4
[M-H]- 286.20238 171.4
[M+NH4]+ 305.24348 188.7
[M+K]+ 326.17282 174.6
[M+H-H2O]+ 270.20692 167.3
[M+HCOO]- 332.20786 193.9
[M+CH3COO]- 346.22351 203.0
[M+Na-2H]- 308.18433 173.7
[M]+ 287.20911 179.0
[M]- 287.21021 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