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

241
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.3
[M+Na]+ 136.07328 130.6
[M-H]- 112.07678 123.9
[M+NH4]+ 131.11788 145.8
[M+K]+ 152.04722 129.1
[M+H-H2O]+ 96.081320 117.9
[M+HCOO]- 158.08226 144.2
[M+CH3COO]- 172.09791 165.3
[M+Na-2H]- 134.05873 127.5
[M]+ 113.08351 119.6
[M]- 113.08461 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