CID 29995

2-ethyl-3-methylmaleimide

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCC1=C(C(=O)NC1=O)C
InChI
InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
InChIKey
CUBICSJJYOPOIA-UHFFFAOYSA-N
Compound name
3-ethyl-4-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

139.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.8
[M+Na]+ 162.052538 135.9
[M-H]- 138.056044 127.5
[M+NH4]+ 157.097143 147.9
[M+K]+ 178.026478 133.7
[M+H-H2O]+ 122.060580 121.0
[M+HCOO]- 184.061521 148.3
[M+CH3COO]- 198.077171 171.4
[M+Na-2H]- 160.037986 129.3
[M]+ 139.06277142 125.5
[M]- 139.06386858 125.5
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