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]+ 166.04987 129.5
[M+Na]+ 188.03181 140.9
[M-H]- 164.03531 133.5
[M+NH4]+ 183.07641 151.9
[M+K]+ 204.00575 140.2
[M+H-H2O]+ 148.03985 125.0
[M+HCOO]- 210.04079 153.4
[M+CH3COO]- 224.05644 174.3
[M+Na-2H]- 186.01726 135.2
[M]+ 165.04204 133.9
[M]- 165.04314 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