CID 2832747

6-amino-2-propylhexanoic acid

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCC(CCCCN)C(=O)O
InChI
InChI=1S/C9H19NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKey
UGFGCJUZRJTFST-UHFFFAOYSA-N
Compound name
6-amino-2-propylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

173.14159 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.9
[M+Na]+ 196.13081 149.1
[M+NH4]+ 191.17541 148.0
[M+K]+ 212.10475 144.9
[M-H]- 172.13431 140.1
[M+Na-2H]- 194.11626 143.0
[M]+ 173.14104 141.9
[M]- 173.14214 141.9
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