CID 854146

1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC1=C(CNC1=O)C
InChI
InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKey
YCTNTSVMJWIYTQ-UHFFFAOYSA-N
Compound name
4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.9
[M+Na]+ 148.073278 133.8
[M-H]- 124.076784 126.2
[M+NH4]+ 143.117883 147.4
[M+K]+ 164.047218 131.9
[M+H-H2O]+ 108.081320 119.8
[M+HCOO]- 170.082261 147.0
[M+CH3COO]- 184.097911 169.1
[M+Na-2H]- 146.058726 129.0
[M]+ 125.08351142 123.5
[M]- 125.08460858 123.5
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