CID 9793807

Deabl

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC1(CCNC1=O)CC
InChI
InChI=1S/C8H15NO/c1-3-8(4-2)5-6-9-7(8)10/h3-6H2,1-2H3,(H,9,10)
InChIKey
WYPUMACPRYGQOM-UHFFFAOYSA-N
Compound name
3,3-diethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

36
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 138.4
[M-H]- 140.10809 131.7
[M+NH4]+ 159.14919 154.5
[M+K]+ 180.07853 136.6
[M+H-H2O]+ 124.11263 126.3
[M+HCOO]- 186.11357 151.3
[M+CH3COO]- 200.12922 170.9
[M+Na-2H]- 162.09004 135.4
[M]+ 141.11482 128.4
[M]- 141.11592 128.4
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