CID 13210764

(s)-n,n-diethyl-5-oxopyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCN(CC)C(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C9H16N2O2/c1-3-11(4-2)9(13)7-5-6-8(12)10-7/h7H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKey
IZCZSKAHNSOBSI-ZETCQYMHSA-N
Compound name
(2S)-N,N-diethyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

184.12119 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 142.7
[M+Na]+ 207.110408 148.0
[M-H]- 183.113914 144.5
[M+NH4]+ 202.155013 162.5
[M+K]+ 223.084348 147.4
[M+H-H2O]+ 167.118450 136.2
[M+HCOO]- 229.119391 163.6
[M+CH3COO]- 243.135041 184.1
[M+Na-2H]- 205.095856 143.8
[M]+ 184.12064142 140.6
[M]- 184.12173858 140.6
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