CID 10241184

5135-58-0

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CN(C)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C8H12N2O2/c1-9(2)5-6-10-7(11)3-4-8(10)12/h3-4H,5-6H2,1-2H3
InChIKey
MTEYNFUBAMXQME-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.1
[M+Na]+ 191.07909 142.4
[M-H]- 167.08259 138.1
[M+NH4]+ 186.12369 155.7
[M+K]+ 207.05303 142.3
[M+H-H2O]+ 151.08713 127.8
[M+HCOO]- 213.08807 159.3
[M+CH3COO]- 227.10372 184.2
[M+Na-2H]- 189.06454 137.8
[M]+ 168.08932 136.1
[M]- 168.09042 136.1
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