CID 43571317

3-(methyl(pentan-3-yl)amino)propanoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.8
[M+Na]+ 196.13081 147.5
[M-H]- 172.13431 142.7
[M+NH4]+ 191.17541 162.7
[M+K]+ 212.10475 148.1
[M+H-H2O]+ 156.13885 137.4
[M+HCOO]- 218.13979 164.3
[M+CH3COO]- 232.15544 186.7
[M+Na-2H]- 194.11626 144.6
[M]+ 173.14104 144.6
[M]- 173.14214 144.6
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.