CID 286651

66234-84-2

Structural Information

Molecular Formula
C7H7NO4
SMILES
CC(=O)C(N1C(=O)C=CC1=O)O
InChI
InChI=1S/C7H7NO4/c1-4(9)7(12)8-5(10)2-3-6(8)11/h2-3,7,12H,1H3
InChIKey
INYVLMMCYHZEIB-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-2-oxopropyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.0375 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 130.9
[M+Na]+ 192.02672 139.5
[M-H]- 168.03022 132.4
[M+NH4]+ 187.07132 151.0
[M+K]+ 208.00066 138.8
[M+H-H2O]+ 152.03476 125.6
[M+HCOO]- 214.03570 152.0
[M+CH3COO]- 228.05135 175.4
[M+Na-2H]- 190.01217 132.8
[M]+ 169.03695 131.1
[M]- 169.03805 131.1
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