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

46367
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.2
[M+Na]+ 136.073278 130.0
[M-H]- 112.076784 124.3
[M+NH4]+ 131.117883 145.5
[M+K]+ 152.047218 129.5
[M+H-H2O]+ 96.081320 116.7
[M+HCOO]- 158.082261 144.7
[M+CH3COO]- 172.097911 168.0
[M+Na-2H]- 134.058726 127.0
[M]+ 113.08351142 120.5
[M]- 113.08460858 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