CID 214537

33421-69-1

Structural Information

Molecular Formula
C16H31NO3
SMILES
CC(C)(C)CC(C)(C)C(=O)OCCCN1CCOCC1
InChI
InChI=1S/C16H31NO3/c1-15(2,3)13-16(4,5)14(18)20-10-6-7-17-8-11-19-12-9-17/h6-13H2,1-5H3
InChIKey
SBOKQEINJNSXIU-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.237676 172.7
[M+Na]+ 308.219618 175.1
[M-H]- 284.223124 173.8
[M+NH4]+ 303.264223 185.8
[M+K]+ 324.193558 175.4
[M+H-H2O]+ 268.227660 166.0
[M+HCOO]- 330.228601 185.2
[M+CH3COO]- 344.244251 201.7
[M+Na-2H]- 306.205066 176.0
[M]+ 285.22985142 173.9
[M]- 285.23094858 173.9
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

No patent data available for this compound.