CID 155820098

2567502-82-1

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CNCCC(=O)N(C)CCC(=O)OC
InChI
InChI=1S/C9H18N2O3/c1-10-6-4-8(12)11(2)7-5-9(13)14-3/h10H,4-7H2,1-3H3
InChIKey
SMZPFDZTCMZGKL-UHFFFAOYSA-N
Compound name
methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13174 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 147.6
[M+Na]+ 225.12096 154.1
[M+NH4]+ 220.16556 153.1
[M+K]+ 241.09490 150.8
[M-H]- 201.12446 146.3
[M+Na-2H]- 223.10641 149.1
[M]+ 202.13119 147.5
[M]- 202.13229 147.5
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.