CID 117799809

Ec 941-267-1

Structural Information

Molecular Formula
C29H55NO4
SMILES
CC(CC(=O)OCCN1C(CC(CC1(C)C)OC(=O)CC(C)CC(C)(C)C)(C)C)CC(C)(C)C
InChI
InChI=1S/C29H55NO4/c1-21(17-26(3,4)5)15-24(31)33-14-13-30-28(9,10)19-23(20-29(30,11)12)34-25(32)16-22(2)18-27(6,7)8/h21-23H,13-20H2,1-12H3
InChIKey
HAFKWVXPFIPBEJ-UHFFFAOYSA-N
Compound name
2-[2,2,6,6-tetramethyl-4-(3,5,5-trimethylhexanoyloxy)piperidin-1-yl]ethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

481.41312 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.42040 216.6
[M+Na]+ 504.40234 217.8
[M-H]- 480.40584 216.6
[M+NH4]+ 499.44694 230.8
[M+K]+ 520.37628 217.5
[M+H-H2O]+ 464.41038 212.7
[M+HCOO]- 526.41132 231.5
[M+CH3COO]- 540.42697 244.8
[M+Na-2H]- 502.38779 212.1
[M]+ 481.41257 223.1
[M]- 481.41367 223.1
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