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]+ 190.107386 141.9
[M+Na]+ 212.089328 147.1
[M-H]- 188.092834 142.1
[M+NH4]+ 207.133933 161.0
[M+K]+ 228.063268 148.9
[M+H-H2O]+ 172.097370 136.5
[M+HCOO]- 234.098311 163.5
[M+CH3COO]- 248.113961 187.1
[M+Na-2H]- 210.074776 143.2
[M]+ 189.09956142 144.9
[M]- 189.10065858 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

patents stripe