CID 165893371

1855829-02-5

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CN(C)CCC(=O)N(C)CCC(=O)OC
InChI
InChI=1S/C10H20N2O3/c1-11(2)7-5-9(13)12(3)8-6-10(14)15-4/h5-8H2,1-4H3
InChIKey
KPKIKLLFLHLLSW-UHFFFAOYSA-N
Compound name
methyl 3-[3-(dimethylamino)propanoyl-methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1474 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 151.5
[M+Na]+ 239.13662 158.1
[M+NH4]+ 234.18122 157.1
[M+K]+ 255.11056 155.1
[M-H]- 215.14012 150.5
[M+Na-2H]- 237.12207 153.1
[M]+ 216.14685 151.6
[M]- 216.14795 151.6
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

No patent data available for this compound.