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

42
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

literature stripe

Patent stripe

patents stripe