CID 79913

Propyl n,n-diethylsuccinamate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCCOC(=O)CCC(=O)N(CC)CC
InChI
InChI=1S/C11H21NO3/c1-4-9-15-11(14)8-7-10(13)12(5-2)6-3/h4-9H2,1-3H3
InChIKey
UZCDZCKZKAMXMC-UHFFFAOYSA-N
Compound name
propyl 4-(diethylamino)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

215.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 152.9
[M+Na]+ 238.141368 157.6
[M-H]- 214.144874 154.0
[M+NH4]+ 233.185973 171.9
[M+K]+ 254.115308 158.6
[M+H-H2O]+ 198.149410 146.8
[M+HCOO]- 260.150351 175.8
[M+CH3COO]- 274.166001 195.1
[M+Na-2H]- 236.126816 154.3
[M]+ 215.15160142 158.1
[M]- 215.15269858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe