CID 220783

2-amino-5-methylhexanoic acid

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)CCC(C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
InChIKey
FMUMEWVNYMUECA-UHFFFAOYSA-N
Compound name
2-amino-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

725
Patents

145.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.7
[M+Na]+ 168.09950 139.8
[M-H]- 144.10300 133.0
[M+NH4]+ 163.14410 154.8
[M+K]+ 184.07344 139.7
[M+H-H2O]+ 128.10754 129.9
[M+HCOO]- 190.10848 154.7
[M+CH3COO]- 204.12413 177.4
[M+Na-2H]- 166.08495 135.9
[M]+ 145.10973 132.8
[M]- 145.11083 132.8
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