CID 472744

Ct1620

Structural Information

Molecular Formula
C24H48N2O2
SMILES
CCCCCCCCNCC(CCCCCCCCCN1CCCCC1=O)O
InChI
InChI=1S/C24H48N2O2/c1-2-3-4-5-10-14-19-25-22-23(27)17-12-9-7-6-8-11-15-20-26-21-16-13-18-24(26)28/h23,25,27H,2-22H2,1H3
InChIKey
JOTJRMQHBMNVLO-UHFFFAOYSA-N
Compound name
1-[10-hydroxy-11-(octylamino)undecyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

396.37158 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.37886 208.4
[M+Na]+ 419.36080 205.7
[M-H]- 395.36430 205.2
[M+NH4]+ 414.40540 216.9
[M+K]+ 435.33474 200.8
[M+H-H2O]+ 379.36884 198.8
[M+HCOO]- 441.36978 221.3
[M+CH3COO]- 455.38543 227.5
[M+Na-2H]- 417.34625 203.8
[M]+ 396.37103 209.3
[M]- 396.37213 209.3
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