CID 43572313

2375269-26-2

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCC(C)N(C)CCC(=O)O
InChI
InChI=1S/C9H19NO2/c1-4-5-8(2)10(3)7-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKey
BAZTYRQOCDLIHI-UHFFFAOYSA-N
Compound name
3-[methyl(pentan-2-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.6
[M+Na]+ 196.13081 149.4
[M+NH4]+ 191.17541 148.2
[M+K]+ 212.10475 145.5
[M-H]- 172.13431 140.5
[M+Na-2H]- 194.11626 143.5
[M]+ 173.14104 142.0
[M]- 173.14214 142.0
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.