CID 53691548

1629740-54-0

Structural Information

Molecular Formula
C8H12N2O3
SMILES
C1=CC(=O)N(C1=O)CCOCCN
InChI
InChI=1S/C8H12N2O3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6,9H2
InChIKey
BNOJEMQYBHYBBX-UHFFFAOYSA-N
Compound name
1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

184.0848 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 137.4
[M+Na]+ 207.07402 145.4
[M-H]- 183.07752 139.3
[M+NH4]+ 202.11862 157.3
[M+K]+ 223.04796 144.0
[M+H-H2O]+ 167.08206 130.9
[M+HCOO]- 229.08300 161.7
[M+CH3COO]- 243.09865 182.2
[M+Na-2H]- 205.05947 140.8
[M]+ 184.08425 138.6
[M]- 184.08535 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe