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

45
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 143.5
[M+Na]+ 196.13081 148.0
[M-H]- 172.13431 141.4
[M+NH4]+ 191.17541 162.5
[M+K]+ 212.10475 146.9
[M+H-H2O]+ 156.13885 138.2
[M+HCOO]- 218.13979 163.9
[M+CH3COO]- 232.15544 182.5
[M+Na-2H]- 194.11626 144.9
[M]+ 173.14104 143.0
[M]- 173.14214 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

No literature data available for this compound.

Patent stripe

patents stripe