CID 59154478

(2s)-4-(tert-butoxy)-2-(dimethylamino)-4-oxobutanoic acid

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-7(9(13)14)11(4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
CETDQCFFXBFGHQ-ZETCQYMHSA-N
Compound name
(2S)-2-(dimethylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.13141 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 149.4
[M+Na]+ 240.12063 154.3
[M-H]- 216.12413 149.6
[M+NH4]+ 235.16523 167.6
[M+K]+ 256.09457 156.2
[M+H-H2O]+ 200.12867 144.5
[M+HCOO]- 262.12961 168.8
[M+CH3COO]- 276.14526 192.8
[M+Na-2H]- 238.10608 150.7
[M]+ 217.13086 152.6
[M]- 217.13196 152.6
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

patents stripe