CID 125424102

(2e)-3-(5-carbamoylfuran-2-yl)prop-2-enoic acid

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]+ 182.044776 136.5
[M+Na]+ 204.026718 144.0
[M-H]- 180.030224 139.3
[M+NH4]+ 199.071323 155.4
[M+K]+ 220.000658 143.2
[M+H-H2O]+ 164.034760 131.1
[M+HCOO]- 226.035701 159.5
[M+CH3COO]- 240.051351 177.9
[M+Na-2H]- 202.012166 139.5
[M]+ 181.03695142 136.2
[M]- 181.03804858 136.2
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.