CID 136877

9-aminononanoic acid

Structural Information

Molecular Formula
C9H19NO2
SMILES
C(CCCCN)CCCC(=O)O
InChI
InChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
InChIKey
VWPQCOZMXULHDM-UHFFFAOYSA-N
Compound name
9-aminononanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9228
Patents

173.14159 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 142.8
[M+Na]+ 196.130808 147.5
[M-H]- 172.134314 140.5
[M+NH4]+ 191.175413 161.8
[M+K]+ 212.104748 145.9
[M+H-H2O]+ 156.138850 137.3
[M+HCOO]- 218.139791 164.1
[M+CH3COO]- 232.155441 181.6
[M+Na-2H]- 194.116256 145.5
[M]+ 173.14104142 142.9
[M]- 173.14213858 142.9
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

patents stripe