CID 10866300

4-ethyl-2-pyrrolidinone

Structural Information

Molecular Formula
C6H11NO
SMILES
CCC1CC(=O)NC1
InChI
InChI=1S/C6H11NO/c1-2-5-3-6(8)7-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKey
ZBCUGJNJBOSHIA-UHFFFAOYSA-N
Compound name
4-ethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 123.3
[M+Na]+ 136.073278 130.6
[M-H]- 112.076784 123.9
[M+NH4]+ 131.117883 145.8
[M+K]+ 152.047218 129.1
[M+H-H2O]+ 96.081320 117.9
[M+HCOO]- 158.082261 144.2
[M+CH3COO]- 172.097911 165.3
[M+Na-2H]- 134.058726 127.5
[M]+ 113.08351142 119.6
[M]- 113.08460858 119.6
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