CID 24771623

Einecs 280-604-0

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)N(CCC(=O)OC)CCC(=O)OC
InChI
InChI=1S/C11H21NO4/c1-9(2)12(7-5-10(13)15-3)8-6-11(14)16-4/h9H,5-8H2,1-4H3
InChIKey
MUGTWUTYHDGLJE-UHFFFAOYSA-N
Compound name
methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.14706 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.6
[M+Na]+ 254.136278 160.0
[M-H]- 230.139784 156.7
[M+NH4]+ 249.180883 173.8
[M+K]+ 270.110218 162.0
[M+H-H2O]+ 214.144320 149.4
[M+HCOO]- 276.145261 177.7
[M+CH3COO]- 290.160911 198.0
[M+Na-2H]- 252.121726 155.8
[M]+ 231.14651142 161.6
[M]- 231.14760858 161.6
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