CID 194032

57224-50-7

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(C)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey
LPBSHGLDBQBSPI-YFKPBYRVSA-N
Compound name
(2S)-2-amino-4,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2989
Patents

145.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.6
[M+Na]+ 168.099498 139.4
[M-H]- 144.103004 132.2
[M+NH4]+ 163.144103 153.9
[M+K]+ 184.073438 139.3
[M+H-H2O]+ 128.107540 129.4
[M+HCOO]- 190.108481 153.1
[M+CH3COO]- 204.124131 176.1
[M+Na-2H]- 166.084946 136.8
[M]+ 145.10973142 131.7
[M]- 145.11082858 131.7
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