CID 155858469

Methyl 2-[3-(dimethylamino)propanamido]pentanoate hydrochloride

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CCCC(C(=O)OC)NC(=O)CCN(C)C
InChI
InChI=1S/C11H22N2O3/c1-5-6-9(11(15)16-4)12-10(14)7-8-13(2)3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKey
ZPYJWIPNQUEYPE-UHFFFAOYSA-N
Compound name
methyl 2-[3-(dimethylamino)propanoylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 157.6
[M+Na]+ 253.15226 161.1
[M-H]- 229.15576 158.6
[M+NH4]+ 248.19686 175.5
[M+K]+ 269.12620 162.7
[M+H-H2O]+ 213.16030 151.0
[M+HCOO]- 275.16124 180.4
[M+CH3COO]- 289.17689 201.0
[M+Na-2H]- 251.13771 157.9
[M]+ 230.16249 161.2
[M]- 230.16359 161.2
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.