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

187
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 144.8
[M-H]- 172.09792 139.5
[M+NH4]+ 191.13902 159.2
[M+K]+ 212.06836 145.6
[M+H-H2O]+ 156.10246 134.0
[M+HCOO]- 218.10340 161.7
[M+CH3COO]- 232.11905 184.1
[M+Na-2H]- 194.07987 141.8
[M]+ 173.10465 141.5
[M]- 173.10575 141.5
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