CID 272725

2-amino-3,4-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)C(C)C(C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)
InChIKey
VFEDCKXLINRKLV-UHFFFAOYSA-N
Compound name
2-amino-3,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

145.11028 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.8
[M+Na]+ 168.09950 139.7
[M-H]- 144.10300 133.2
[M+NH4]+ 163.14410 154.8
[M+K]+ 184.07344 140.1
[M+H-H2O]+ 128.10754 130.1
[M+HCOO]- 190.10848 153.8
[M+CH3COO]- 204.12413 178.4
[M+Na-2H]- 166.08495 134.7
[M]+ 145.10973 132.2
[M]- 145.11083 132.2
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