CID 125424102

2031285-14-8

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1=C(OC(=C1)C(=O)N)/C=C/C(=O)O
InChI
InChI=1S/C8H7NO4/c9-8(12)6-3-1-5(13-6)2-4-7(10)11/h1-4H,(H2,9,12)(H,10,11)/b4-2+
InChIKey
ZNHUNKLEVGHOCV-DUXPYHPUSA-N
Compound name
(E)-3-(5-carbamoylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 137.8
[M+Na]+ 204.02672 146.0
[M+NH4]+ 199.07132 143.2
[M+K]+ 220.00066 145.3
[M-H]- 180.03022 137.8
[M+Na-2H]- 202.01217 139.7
[M]+ 181.03695 138.3
[M]- 181.03805 138.3
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

No patent data available for this compound.