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]+ 182.04478 136.5
[M+Na]+ 204.02672 144.0
[M-H]- 180.03022 139.3
[M+NH4]+ 199.07132 155.4
[M+K]+ 220.00066 143.2
[M+H-H2O]+ 164.03476 131.1
[M+HCOO]- 226.03570 159.5
[M+CH3COO]- 240.05135 177.9
[M+Na-2H]- 202.01217 139.5
[M]+ 181.03695 136.2
[M]- 181.03805 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.