CID 165800140

2824987-01-9

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)CC[C@H](C(=O)O)N(C)C
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-9(13)7-6-8(10(14)15)12(4)5/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1
InChIKey
PETUTSNBWMTJAS-MRVPVSSYSA-N
Compound name
(2R)-2-(dimethylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.1
[M+Na]+ 254.136278 158.6
[M-H]- 230.139784 154.1
[M+NH4]+ 249.180883 171.8
[M+K]+ 270.110218 160.2
[M+H-H2O]+ 214.144320 149.0
[M+HCOO]- 276.145261 173.3
[M+CH3COO]- 290.160911 195.8
[M+Na-2H]- 252.121726 154.9
[M]+ 231.14651142 157.7
[M]- 231.14760858 157.7
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.