CID 155820098

Methyl 3-[n-methyl-3-(methylamino)propanamido]propanoate hydrochloride

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 147.9
[M+Na]+ 225.12096 152.5
[M-H]- 201.12446 149.2
[M+NH4]+ 220.16556 167.0
[M+K]+ 241.09490 154.0
[M+H-H2O]+ 185.12900 141.5
[M+HCOO]- 247.12994 172.4
[M+CH3COO]- 261.14559 194.0
[M+Na-2H]- 223.10641 150.5
[M]+ 202.13119 151.4
[M]- 202.13229 151.4
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.