CID 15205

4-(diethylamino)-4-oxobutanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCN(CC)C(=O)CCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-3-9(4-2)7(10)5-6-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKey
XILORGWKMLOGKF-UHFFFAOYSA-N
Compound name
4-(diethylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

173.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.4
[M+Na]+ 196.09442 146.9
[M+NH4]+ 191.13902 145.3
[M+K]+ 212.06836 143.7
[M-H]- 172.09792 137.5
[M+Na-2H]- 194.07987 140.9
[M]+ 173.10465 139.4
[M]- 173.10575 139.4
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