CID 2195180

3r-aminononanoic acid

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCCC[C@H](CC(=O)O)N
InChI
InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey
JSJXIPXCQNHXJA-MRVPVSSYSA-N
Compound name
(3R)-3-aminononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 143.5
[M+Na]+ 196.130808 148.0
[M-H]- 172.134314 141.4
[M+NH4]+ 191.175413 162.5
[M+K]+ 212.104748 146.9
[M+H-H2O]+ 156.138850 138.2
[M+HCOO]- 218.139791 163.9
[M+CH3COO]- 232.155441 182.5
[M+Na-2H]- 194.116256 144.9
[M]+ 173.14104142 143.0
[M]- 173.14213858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.