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]+ 286.23768 172.7
[M+Na]+ 308.21962 175.1
[M-H]- 284.22312 173.8
[M+NH4]+ 303.26422 185.8
[M+K]+ 324.19356 175.4
[M+H-H2O]+ 268.22766 166.0
[M+HCOO]- 330.22860 185.2
[M+CH3COO]- 344.24425 201.7
[M+Na-2H]- 306.20507 176.0
[M]+ 285.22985 173.9
[M]- 285.23095 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.