CID 87295526

(4s)-4-(dimethylamino)-5-methoxy-5-oxopentanoic acid

Structural Information

Molecular Formula
C8H15NO4
SMILES
CN(C)[C@@H](CCC(=O)O)C(=O)OC
InChI
InChI=1S/C8H15NO4/c1-9(2)6(8(12)13-3)4-5-7(10)11/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKey
MLQNKUXRPBCOSL-LURJTMIESA-N
Compound name
(4S)-4-(dimethylamino)-5-methoxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

189.10011 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 141.9
[M+Na]+ 212.08933 147.1
[M-H]- 188.09283 142.1
[M+NH4]+ 207.13393 161.0
[M+K]+ 228.06327 148.9
[M+H-H2O]+ 172.09737 136.5
[M+HCOO]- 234.09831 163.5
[M+CH3COO]- 248.11396 187.1
[M+Na-2H]- 210.07478 143.2
[M]+ 189.09956 144.9
[M]- 189.10066 144.9
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.