CID 181508

38862-24-7

Structural Information

Molecular Formula
C7H7NO4
SMILES
C=CC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C7H7NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2H,1,3-4H2
InChIKey
YXMISKNUHHOXFT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3504
Patents

169.0375 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 130.6
[M+Na]+ 192.02672 139.4
[M-H]- 168.03022 133.1
[M+NH4]+ 187.07132 151.5
[M+K]+ 208.00066 138.6
[M+H-H2O]+ 152.03476 125.2
[M+HCOO]- 214.03570 153.0
[M+CH3COO]- 228.05135 175.9
[M+Na-2H]- 190.01217 133.3
[M]+ 169.03695 131.2
[M]- 169.03805 131.2
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