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

201
Patents

173.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.4
[M+Na]+ 196.094418 144.8
[M-H]- 172.097924 139.5
[M+NH4]+ 191.139023 159.2
[M+K]+ 212.068358 145.6
[M+H-H2O]+ 156.102460 134.0
[M+HCOO]- 218.103401 161.7
[M+CH3COO]- 232.119051 184.1
[M+Na-2H]- 194.079866 141.8
[M]+ 173.10465142 141.5
[M]- 173.10574858 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