CID 16726422

Methyl 3-(methyl(pentyl)amino)propanoate

Structural Information

Molecular Formula
C10H21NO2
SMILES
CCCCCN(C)CCC(=O)OC
InChI
InChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3
InChIKey
ZWKFEVVFVAGPDE-UHFFFAOYSA-N
Compound name
methyl 3-[methyl(pentyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.164506 146.6
[M+Na]+ 210.146448 151.6
[M-H]- 186.149954 147.8
[M+NH4]+ 205.191053 166.9
[M+K]+ 226.120388 152.5
[M+H-H2O]+ 170.154490 140.8
[M+HCOO]- 232.155431 170.4
[M+CH3COO]- 246.171081 190.8
[M+Na-2H]- 208.131896 149.8
[M]+ 187.15668142 151.4
[M]- 187.15777858 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

patents stripe