CID 11207937

Dtxsid401017551

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C
InChI
InChI=1S/C16H31NO2/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13/h13,17H,6-12H2,1-5H3
InChIKey
PWWKJRFUJIFGGD-UHFFFAOYSA-N
Compound name
(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

17
Patents

269.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 166.6
[M+Na]+ 292.224688 171.4
[M-H]- 268.228194 166.5
[M+NH4]+ 287.269293 185.5
[M+K]+ 308.198628 169.2
[M+H-H2O]+ 252.232730 161.6
[M+HCOO]- 314.233671 181.4
[M+CH3COO]- 328.249321 198.4
[M+Na-2H]- 290.210136 167.9
[M]+ 269.23492142 166.5
[M]- 269.23601858 166.5
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

patents stripe