CID 11206053

(2r)-2-acetamido-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChI
InChI=1S/C8H15NO3/c1-5(10)9-6(7(11)12)8(2,3)4/h6H,1-4H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
WPPXAQGLXQAVTE-LURJTMIESA-N
Compound name
(2R)-2-acetamido-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

173.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.7
[M+Na]+ 196.09442 144.3
[M-H]- 172.09792 137.8
[M+NH4]+ 191.13902 158.1
[M+K]+ 212.06836 144.7
[M+H-H2O]+ 156.10246 134.5
[M+HCOO]- 218.10340 158.1
[M+CH3COO]- 232.11905 181.1
[M+Na-2H]- 194.07987 141.5
[M]+ 173.10465 138.4
[M]- 173.10575 138.4
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

No patent data available for this compound.