CID 35753

31217-72-8

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCN1C(=O)C=C(C1=O)C
InChI
InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3
InChIKey
NKHIHGVHWGKXMQ-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

139.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.6
[M+Na]+ 162.052538 135.1
[M-H]- 138.056044 127.7
[M+NH4]+ 157.097143 147.5
[M+K]+ 178.026478 133.9
[M+H-H2O]+ 122.060580 119.6
[M+HCOO]- 184.061521 148.7
[M+CH3COO]- 198.077171 174.1
[M+Na-2H]- 160.037986 128.7
[M]+ 139.06277142 126.2
[M]- 139.06386858 126.2
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