CID 163335693

(2s)-3-(tert-butoxy)-2-(dimethylamino)propanoic acid

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(C)(C)OC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-6-7(8(11)12)10(4)5/h7H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKey
PKINVVXBSOCSOY-ZETCQYMHSA-N
Compound name
(2S)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.0
[M+Na]+ 212.12571 149.3
[M-H]- 188.12921 144.3
[M+NH4]+ 207.17031 163.5
[M+K]+ 228.09965 150.9
[M+H-H2O]+ 172.13375 139.3
[M+HCOO]- 234.13469 164.4
[M+CH3COO]- 248.15034 188.4
[M+Na-2H]- 210.11116 146.9
[M]+ 189.13594 146.8
[M]- 189.13704 146.8
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.