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]+ 190.143766 144.0
[M+Na]+ 212.125708 149.3
[M-H]- 188.129214 144.3
[M+NH4]+ 207.170313 163.5
[M+K]+ 228.099648 150.9
[M+H-H2O]+ 172.133750 139.3
[M+HCOO]- 234.134691 164.4
[M+CH3COO]- 248.150341 188.4
[M+Na-2H]- 210.111156 146.9
[M]+ 189.13594142 146.8
[M]- 189.13703858 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.