CID 7141881

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

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=COC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey
MMAIBGHDBYQYDI-UHFFFAOYSA-N
Compound name
4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

111
Patents

151.02695 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 125.7
[M+Na]+ 174.01617 136.1
[M-H]- 150.01967 128.1
[M+NH4]+ 169.06077 147.6
[M+K]+ 189.99011 134.8
[M+H-H2O]+ 134.02421 121.2
[M+HCOO]- 196.02515 148.4
[M+CH3COO]- 210.04080 167.6
[M+Na-2H]- 172.00162 132.1
[M]+ 151.02640 127.4
[M]- 151.02750 127.4
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