CID 17595

2687-91-4

Structural Information

Molecular Formula
C6H11NO
SMILES
CCN1CCCC1=O
InChI
InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKey
ZFPGARUNNKGOBB-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

50186
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.2
[M+Na]+ 136.07328 130.0
[M-H]- 112.07678 124.3
[M+NH4]+ 131.11788 145.5
[M+K]+ 152.04722 129.5
[M+H-H2O]+ 96.081320 116.7
[M+HCOO]- 158.08226 144.7
[M+CH3COO]- 172.09791 168.0
[M+Na-2H]- 134.05873 127.0
[M]+ 113.08351 120.5
[M]- 113.08461 120.5
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