CID 7164641

4-methyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
CN1C2=C(C=C1C(=O)O)OC=C2
InChI
InChI=1S/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
ITEWRYWRNQCNHT-UHFFFAOYSA-N
Compound name
4-methylfuro[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

165.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.5
[M+Na]+ 188.031808 140.9
[M-H]- 164.035314 133.5
[M+NH4]+ 183.076413 151.9
[M+K]+ 204.005748 140.2
[M+H-H2O]+ 148.039850 125.0
[M+HCOO]- 210.040791 153.4
[M+CH3COO]- 224.056441 174.3
[M+Na-2H]- 186.017256 135.2
[M]+ 165.04204142 133.9
[M]- 165.04313858 133.9
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