CID 42614557

Methyl 2-(5,5-dimethylmorpholin-2-yl)acetate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1(COC(CN1)CC(=O)OC)C
InChI
InChI=1S/C9H17NO3/c1-9(2)6-13-7(5-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKey
DYUSOCVVNYMALB-UHFFFAOYSA-N
Compound name
methyl 2-(5,5-dimethylmorpholin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 141.7
[M+Na]+ 210.11007 147.5
[M-H]- 186.11357 142.7
[M+NH4]+ 205.15467 160.1
[M+K]+ 226.08401 148.0
[M+H-H2O]+ 170.11811 136.3
[M+HCOO]- 232.11905 158.1
[M+CH3COO]- 246.13470 178.5
[M+Na-2H]- 208.09552 146.7
[M]+ 187.12030 140.2
[M]- 187.12140 140.2
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.