CID 21885088

1-(2-hydroxy-2-methylpropoxy)-4-octadecanoyloxy-2,2,6,6-tetramethylpiperidine

Structural Information

Molecular Formula
C31H61NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1CC(N(C(C1)(C)C)OCC(C)(C)O)(C)C
InChI
InChI=1S/C31H61NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(33)36-27-24-29(2,3)32(30(4,5)25-27)35-26-31(6,7)34/h27,34H,8-26H2,1-7H3
InChIKey
KGUHWHHMNQPSRV-UHFFFAOYSA-N
Compound name
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2652
Patents

511.46005 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.46733 233.6
[M+Na]+ 534.44927 232.9
[M-H]- 510.45277 230.9
[M+NH4]+ 529.49387 242.6
[M+K]+ 550.42321 229.4
[M+H-H2O]+ 494.45731 227.1
[M+HCOO]- 556.45825 242.1
[M+CH3COO]- 570.47390 247.9
[M+Na-2H]- 532.43472 228.7
[M]+ 511.45950 241.8
[M]- 511.46060 241.8
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