CID 163335694

(2s,3r)-3-(tert-butoxy)-2-(dimethylamino)butanoic acid

Structural Information

Molecular Formula
C10H21NO3
SMILES
C[C@H]([C@@H](C(=O)O)N(C)C)OC(C)(C)C
InChI
InChI=1S/C10H21NO3/c1-7(14-10(2,3)4)8(9(12)13)11(5)6/h7-8H,1-6H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
DGXPEQAYAJNYSK-SFYZADRCSA-N
Compound name
(2S,3R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.15215 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15943 148.2
[M+Na]+ 226.14137 152.8
[M-H]- 202.14487 148.4
[M+NH4]+ 221.18597 167.0
[M+K]+ 242.11531 154.7
[M+H-H2O]+ 186.14941 143.4
[M+HCOO]- 248.15035 167.2
[M+CH3COO]- 262.16600 192.3
[M+Na-2H]- 224.12682 149.3
[M]+ 203.15160 150.7
[M]- 203.15270 150.7
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.